bis(2-hydroxyethyl)-(2-hydroxyoctadecyl)-methyl-ammonium; 4-methylbenzenesulfonate
[CAS# 94249-13-5]

Identification

• Name: bis(2-hydroxyethyl)-(2-hydroxyoctadecyl)-methyl-ammonium; 4-methylbenzenesulfonate
• Synonyms: bis(2-hydroxyethyl)(2-hydroxyoctadecyl)methylammonium toluene-p-sulphonate
• Molecular Formula: C₃₀H₅₇NO₆S
• Molecular Weight: 559.84
• CAS Registry Number: 94249-13-5
• EINECS: 304-386-4
• SMILES: O=S([O-])(=O)c1ccc(C)cc1.OCC[N+](C)(CCO)CC(O)CCCCCCCCCCCCCCCC
• InChI: 1S/C23H50NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)22-24(2,18-20-25)19-21-26;1-6-2-4-7(5-3-6)11(8,9)10/h23,25-27H,3-22H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: DIHMWNCOPZUFER-UHFFFAOYSA-M