[1-hexadecoxy-3-(octadecanoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-hexadecoxy-3-(octadecanoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(hexadecoxymethyl)-2-(octadecanoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-(1-oxooctadecylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-(octadecanoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(cetyloxymethyl)-2-stearamido-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H87N2O6P MolecularWeight: 747.123741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C42H87N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(45)43-39-41(50-51(46,47)49-38-36-44(3,4)5)40-48-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3,(H-,43,45,46,47)