3-Chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxy-1-propanaminium 4-methylbenzenesulfonate
[CAS# 85005-94-3]

Identification

• Name: 3-Chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxy-1-propanaminium 4-methylbenzenesulfonate
• Synonyms: bis(3-chloro-2-hydroxypropyl)diethylammonium toluene-p-sulphonate
• Molecular Formula: C₁₇H₂₉Cl₂NO₅S
• Molecular Weight: 430.39
• CAS Registry Number: 85005-94-3
• EINECS: 285-024-1
• SMILES: O=S([O-])(=O)c1ccc(C)cc1.ClCC(O)C[N+](CC)(CC)CC(O)CCl
• InChI: 1S/C10H22Cl2NO2.C7H8O3S/c1-3-13(4-2,7-9(14)5-11)8-10(15)6-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,14-15H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: ASQPAZOHJBRJBC-UHFFFAOYSA-M