N-(2,3-Dihydroxypropyl)-2-hydroxy-N,N-dimethyl-1-octadecanaminium 4-methylbenzenesulfonate
[CAS# 85896-23-7]

Identification

• Name: N-(2,3-Dihydroxypropyl)-2-hydroxy-N,N-dimethyl-1-octadecanaminium 4-methylbenzenesulfonate
• Synonyms: (2,3-dihydroxypropyl)(2-hydroxyoctadecyl)dimethylammonium toluene-p-sulphonate
• Molecular Formula: C₃₀H₅₇NO₆S
• Molecular Weight: 559.84
• CAS Registry Number: 85896-23-7
• EINECS: 288-799-4
• SMILES: O=S([O-])(=O)c1ccc(C)cc1.CCCCCCCCCCCCCCCCC(O)C[N+](C)(C)CC(O)CO
• InChI: 1S/C23H50NO3.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)19-24(2,3)20-23(27)21-25;1-6-2-4-7(5-3-6)11(8,9)10/h22-23,25-27H,4-21H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: VXADLFUEJCKPSE-UHFFFAOYSA-M