5282453 -OEChem-05181302542D 82 78 0 0 0 0 0 0 0999 V2000 7.2151 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.2151 2.5000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.2151 5.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.6350 13.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 8.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 12.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 14.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 9.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.6350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7953 11.6350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4651 11.1350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 11.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 9.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 12.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 10.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 12.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 13.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9651 10.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 12.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 11.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 11.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 10.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 10.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 12.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 12.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 9.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 10.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 11.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 11.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 10.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 11.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 12.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 12.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 12.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 12.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 12.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 10.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 9.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 12.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 13.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 11.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 11.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 9.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 8.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 11.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 11.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 11.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 12.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 9.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2751 9.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5021 10.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 12.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 12.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 11.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6053 14.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 11.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 13.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 25 1 0 0 0 0 4 82 1 0 0 0 0 5 26 1 0 0 0 0 5 81 1 0 0 0 0 6 27 1 0 0 0 0 6 80 1 0 0 0 0 7 28 1 0 0 0 0 7 79 1 0 0 0 0 8 29 1 0 0 0 0 8 78 1 0 0 0 0 9 30 1 0 0 0 0 9 77 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 23 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 24 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 26 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 25 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 27 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 28 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 30 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 29 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 31 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 32 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 31 2 0 0 0 0 23 56 1 0 0 0 0 24 32 2 0 0 0 0 24 55 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 70 1 0 0 0 0 32 69 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 M CHG 6 1 -1 2 -1 3 -1 10 1 11 1 12 1 M END > 5282453 > 1 > 424 > 9 > 6 > 20 > AAADcfB7OAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAACADhgAYCAAMAAgCAACBCAACAAAAAAAAICAAIAAACEAAAAQAAAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)ammonio]but-2-enyl]ammonium;trichloride > dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)ammonio]but-2-enyl]ammonium;trichloride > dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium;trichloride > dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium;trichloride > dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)ammonio]but-2-enyl]ammonium;trichloride > InChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;; > OTIWYSKRSMXGNK-VHJGTCNUSA-K > 555.260869 > C22H48Cl3N3O6 > 556.99202 > C[N+](C)(CC=CC[N+](CCO)(CCO)CCO)CC=CC[N+](CCO)(CCO)CCO.[Cl-].[Cl-].[Cl-] > C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C.[Cl-].[Cl-].[Cl-] > 121 > 555.260869 > 0 > 34 > 0 > 0 > 2 > 0 > 0 > 4 > 1 > 1 5 255 $$$$