2-[hexadecylcarbamoyl(octadecyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2-[hexadecylcarbamoyl(octadecyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2-[hexadecylcarbamoyl(octadecyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2-[[(hexadecylamino)-oxomethyl]-octadecylamino]ethyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2-[hexadecylcarbamoyl(octadecyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2-[cetylcarbamoyl(stearyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate Formula: C42H88N3O5P MolecularWeight: 746.138981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)NCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)NCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H88N3O5P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-44(38-40-49-51(47,48)50-41-39-45(3,4)5)42(46)43-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h6-41H2,1-5H3,(H-,43,46,47,48)