N,N-Dimethyl-N-[3-(stearoylamino)propyl]-1-hexadecanaminium 4-methylbenzenesulfonate
[CAS# 87616-36-2]

Identification

• Name: N,N-Dimethyl-N-[3-(stearoylamino)propyl]-1-hexadecanaminium 4-methylbenzenesulfonate
• Synonyms: hexadecyldimethyl[3-(stearoylamino)propyl]ammonium toluene-p-sulphonate
• Molecular Formula: C₄₆H₈₈N₂O₄S
• Molecular Weight: 765.27
• CAS Registry Number: 87616-36-2
• EINECS: 289-325-9
• SMILES: O=S([O-])(=O)c1ccc(C)cc1.CCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC
• InChI: 1S/C39H80N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-35-39(42)40-36-34-38-41(3,4)37-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-38H2,1-4H3;2-5H,1H3,(H,8,9,10)
• InChIKey: HNRNSEHDIZRHCT-UHFFFAOYSA-N