24898472 -OEChem-04252400002D 141139 0 1 0 0 0 0 0999 V2000 10.2462 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 8.3312 12.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.1200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5991 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2331 12.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 11.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 14.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 15.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 13.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 16.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5895 17.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5895 18.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4555 18.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5895 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 11.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 11.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 13.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 13.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 12.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 10.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 10.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7700 11.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 12.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 12.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 11.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 10.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 9.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 9.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 12.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 12.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 7.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 8.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 6.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 6.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 11.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 11.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 11.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 5.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 13.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4058 4.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0073 5.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0695 13.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4680 14.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6454 15.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2469 15.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7794 14.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3808 13.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9355 15.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3340 15.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7269 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5239 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 12.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5114 17.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1129 16.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3899 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5929 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8015 16.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2001 17.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4589 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2560 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3774 18.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9789 18.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1220 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3249 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7655 18.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9925 18.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1455 19.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2795 2.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1264 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8995 3.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 26 1 0 0 0 0 5104 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 8 12 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 13 1 0 0 0 0 9 56 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 60 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 14 15 1 0 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 16 1 0 0 0 0 15 69 1 0 0 0 0 15 70 1 0 0 0 0 16 18 1 0 0 0 0 16 71 1 0 0 0 0 16 72 1 0 0 0 0 17 19 1 0 0 0 0 17 73 1 0 0 0 0 17 74 1 0 0 0 0 18 22 1 0 0 0 0 18 75 1 0 0 0 0 18 76 1 0 0 0 0 19 21 1 0 0 0 0 19 77 1 0 0 0 0 19 78 1 0 0 0 0 20 26 1 0 0 0 0 20 79 1 0 0 0 0 20 80 1 0 0 0 0 21 23 1 0 0 0 0 21 81 1 0 0 0 0 21 82 1 0 0 0 0 22 24 1 0 0 0 0 22 83 1 0 0 0 0 22 84 1 0 0 0 0 23 25 1 0 0 0 0 23 85 1 0 0 0 0 23 86 1 0 0 0 0 24 27 1 0 0 0 0 24 87 1 0 0 0 0 24 88 1 0 0 0 0 25 28 1 0 0 0 0 25 89 1 0 0 0 0 25 90 1 0 0 0 0 26 93 1 0 0 0 0 26 94 1 0 0 0 0 27 30 1 0 0 0 0 27 91 1 0 0 0 0 27 92 1 0 0 0 0 28 29 1 0 0 0 0 28 95 1 0 0 0 0 28 96 1 0 0 0 0 29 31 1 0 0 0 0 29 97 1 0 0 0 0 29 98 1 0 0 0 0 30 32 1 0 0 0 0 30 99 1 0 0 0 0 30100 1 0 0 0 0 31 37 1 0 0 0 0 31101 1 0 0 0 0 31102 1 0 0 0 0 32 41 2 0 0 0 0 32103 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33105 1 0 0 0 0 33106 1 0 0 0 0 34 36 1 0 0 0 0 34107 1 0 0 0 0 34108 1 0 0 0 0 35 41 1 0 0 0 0 35109 1 0 0 0 0 35110 1 0 0 0 0 36 43 1 0 0 0 0 36111 1 0 0 0 0 36112 1 0 0 0 0 37 45 2 0 0 0 0 37115 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38113 1 0 0 0 0 38114 1 0 0 0 0 39 42 1 0 0 0 0 39116 1 0 0 0 0 39117 1 0 0 0 0 40 44 1 0 0 0 0 40118 1 0 0 0 0 40119 1 0 0 0 0 41120 1 0 0 0 0 42 45 1 0 0 0 0 42121 1 0 0 0 0 42122 1 0 0 0 0 43 46 1 0 0 0 0 43123 1 0 0 0 0 43124 1 0 0 0 0 44 47 1 0 0 0 0 44125 1 0 0 0 0 44126 1 0 0 0 0 45127 1 0 0 0 0 46 48 1 0 0 0 0 46128 1 0 0 0 0 46129 1 0 0 0 0 47 49 1 0 0 0 0 47130 1 0 0 0 0 47131 1 0 0 0 0 48 50 1 0 0 0 0 48132 1 0 0 0 0 48133 1 0 0 0 0 49 51 1 0 0 0 0 49134 1 0 0 0 0 49135 1 0 0 0 0 50136 1 0 0 0 0 50137 1 0 0 0 0 50138 1 0 0 0 0 51139 1 0 0 0 0 51140 1 0 0 0 0 51141 1 0 0 0 0 M CHG 2 1 -1 6 1 M END > 24898472 > 1 > 695 > 5 > 1 > 42 > AAADcfB+OAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAACBThgAYCAAMABgCAACBCAAAAAAAgAAAICAAIAAgDEAIAAQAHAAAGgACbAAOAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2,3-bis[(Z)-octadec-9-enoxy]propyl-[2-(2-hydroxyethoxy)ethyl]-dimethyl-ammonium;bromide > 2,3-bis[(Z)-octadec-9-enoxy]propyl-[2-(2-hydroxyethoxy)ethyl]-dimethylammonium;bromide > 2,3-bis[(Z)-octadec-9-enoxy]propyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium;bromide > 2,3-bis[(Z)-octadec-9-enoxy]propyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium;bromide > 2,3-bis[(Z)-octadec-9-enoxy]propyl-[2-(2-hydroxyethyloxy)ethyl]-dimethyl-azanium;bromide > 2,3-bis[(Z)-octadec-9-enoxy]propyl-[2-(2-hydroxyethoxy)ethyl]-dimethyl-ammonium;bromide > InChI=1S/C45H90NO4.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-49-44-45(43-46(3,4)37-41-48-42-38-47)50-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22,45,47H,5-18,23-44H2,1-4H3;1H/q+1;/p-1/b21-19-,22-20-; > LEDMGTLFDXTCGY-JDVCJPALSA-M > 787.60532 > C45H90BrNO4 > 789.1 > CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCOCCO)OCCCCCCCCC=CCCCCCCCC.[Br-] > CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)CCOCCO)OCCCCCCCC/C=C\CCCCCCCC.[Br-] > 47.9 > 787.60532 > 0 > 51 > 0 > 1 > 2 > 0 > 0 > 2 > -1 > 1 5 255 > 9 7 3 $$$$