bis(2-hydroxyethyl)-(2-hydroxyoctyl)-methyl-ammonium, 4-methylbenzenesulfonate
[CAS# 94249-09-9]

Identification

• Name: bis(2-hydroxyethyl)-(2-hydroxyoctyl)-methyl-ammonium, 4-methylbenzenesulfonate
• Synonyms: bis(2-hydroxyethyl)(2-hydroxyoctyl)methylammonium toluene-p-sulphonate
• Molecular Formula: C₂₀H₃₇NO₆S
• Molecular Weight: 419.58
• CAS Registry Number: 94249-09-9
• EINECS: 304-384-3
• SMILES: O=S([O-])(=O)c1ccc(C)cc1.OCC[N+](C)(CCO)CC(O)CCCCCC
• InChI: 1S/C13H30NO3.C7H8O3S/c1-3-4-5-6-7-13(17)12-14(2,8-10-15)9-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h13,15-17H,3-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: HAGDDOULRGYHOL-UHFFFAOYSA-M