Cetrimonium tosilate

Properties Image MNX_ID MNXM120431 reference keggD:D07673 formula C26H49NO3S global charge 0 mol weight 455.749 InChIKey MZMRZONIDDFOGF-UHFFFAOYSA-M InChI InChI=1S/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 SMILES CC1=CC=C(S(=O)(=O)[O-])C=C1.CCCCCCCCCCCCCCCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1; SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][N+:20]([CH3:2])([CH3:3])[CH3:4].[CH3:21][C:26]1=[CH:23][CH:25]=[C:27]([S:31]([OH:28])(=[O:29])=[O:30])[CH:24]=[CH:22]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0