N,N-Dimethyl-N-[3-(stearoylamino)propyl]-1-octadecanaminium 4-methylbenzenesulfonate
[CAS# 83554-37-4]

Identification

• Name: N,N-Dimethyl-N-[3-(stearoylamino)propyl]-1-octadecanaminium 4-methylbenzenesulfonate
• Synonyms: dimethyl(octadecyl)[3-(stearoylamino)propyl]ammonium toluene-p-sulphonate
• Molecular Formula: C₄₈H₉₂N₂O₄S
• Molecular Weight: 793.32
• CAS Registry Number: 83554-37-4
• EINECS: 280-480-8
• SMILES: O=S([O-])(=O)c1ccc(C)cc1.CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC
• InChI: 1S/C41H84N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43(3,4)40-36-38-42-41(44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-40H2,1-4H3;2-5H,1H3,(H,8,9,10)
• InChIKey: SHZVCMDZRTWPGH-UHFFFAOYSA-N