177977 -OEChem-04242400012D 97 97 0 0 0 0 0 0 0999 V2000 13.2202 10.7335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 11.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 10.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2202 10.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.5369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2690 5.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 9.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 7.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 12.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 13.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 15.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 16.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 16.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 17.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 9.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 7.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 9.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0862 9.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 8.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0862 8.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 6.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 8.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 9.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 10.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 9.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 9.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 9.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 9.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 7.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 7.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 7.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 9.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 10.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 12.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 11.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 11.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 12.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 7.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 13.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 12.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 12.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 13.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 15.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 14.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 14.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 15.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 16.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 15.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 15.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 16.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 17.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 18.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 17.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 9.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6231 9.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 7.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6231 7.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 6.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 6.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8402 6.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7571 12.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 35 1 0 0 0 0 2 24 2 0 0 0 0 3 97 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 7 70 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 14 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 16 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 18 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 17 19 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 20 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 21 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 22 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 23 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 25 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 30 1 0 0 0 0 28 80 1 0 0 0 0 29 31 2 0 0 0 0 29 81 1 0 0 0 0 30 32 2 0 0 0 0 30 82 1 0 0 0 0 31 32 1 0 0 0 0 31 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 37 90 1 0 0 0 0 38 40 2 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 40 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 M CHG 1 6 1 M END > 177977 > 1 > 634 > 5 > 2 > 18 > AAADcfB/OABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQQCAAADAjB2AQywYPAAIKIAiVSUHDCAEAlAgAIiJkIZMgIIDLA1ZGEIQhglgDIyYcYiYCeGAAAAAAAAAAwAAAAAAAAAAAAAAAAAA== > 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethyl-ammonium;4-methylbenzenesulfonic acid > 3-[[[4-(dimethylamino)phenyl]-oxomethyl]amino]propyl-dodecyl-dimethylammonium;4-methylbenzenesulfonic acid > 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonic acid > 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonic acid > 3-[[4-(dimethylamino)phenyl]carbonylamino]propyl-dodecyl-dimethyl-azanium;4-methylbenzenesulfonic acid > 3-[[4-(dimethylamino)benzoyl]amino]propyl-lauryl-dimethyl-ammonium;tosylic acid > InChI=1S/C26H47N3O.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-22-29(4,5)23-16-21-27-26(30)24-17-19-25(20-18-24)28(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h17-20H,6-16,21-23H2,1-5H3;2-5H,1H3,(H,8,9,10)/p+1 > RLPAVRZVJNPKLX-UHFFFAOYSA-O > 590.39915345 > C33H56N3O4S+ > 590.9 > CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)O > CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)O > 95.1 > 590.39915345 > 1 > 41 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 26 28 8 26 29 8 28 30 8 29 31 8 30 32 8 31 32 8 35 37 8 35 38 8 36 39 8 36 40 8 37 39 8 38 40 8 $$$$