N-Ethyl-N-methyl-3-[(9Z)-9-octadecenoylamino]-N-{3-[(9Z)-9-octadecenoylamino]propyl}-1-propanaminium ethyl sulfate
[CAS# 94070-90-3]

Identification

• Name: N-Ethyl-N-methyl-3-[(9Z)-9-octadecenoylamino]-N-{3-[(9Z)-9-octadecenoylamino]propyl}-1-propanaminium ethyl sulfate
• Synonyms: ethyl (Z,Z)-ethyl(methyl)[3-[(1-oxo-9-octadecenyl)amino]propyl][3-[(1-oxo-9-octadecenyl)amino]propyl]ammonium sulphate
• Molecular Formula: C₄₇H₉₃N₃O₆S
• Molecular Weight: 828.32
• CAS Registry Number: 94070-90-3
• EINECS: 301-789-7
• SMILES: O=C(CCCCCCC/C=C\CCCCCCCC)NCCC[N+](C)(CC)CCCNC(=O)CCCCCCC/C=C\CCCCCCCC.[O-]S(=O)(=O)OCC
• InChI: 1S/C45H87N3O2.C2H6O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-44(49)46-40-36-42-48(4,7-3)43-37-41-47-45(50)39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-2-6-7(3,4)5/h20-23H,5-19,24-43H2,1-4H3,(H-,46,47,49,50);2H2,1H3,(H,3,4,5)/b22-20-,23-21-
• InChIKey: JVGDJSIDYJEIRF-LQDDAWAPSA-N