[1-[hexadecanoyl(methyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[hexadecanoyl(methyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[hexadecanoyl(methyl)amino]methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-[methyl(1-oxohexadecyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[hexadecanoyl(methyl)amino]-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[hexadecanoyl(methyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C45H93N2O6P MolecularWeight: 789.203481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CN(C)C(=O)CCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CN(C)C(=O)CCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C45H93N2O6P/c1-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-40-51-43-44(53-54(49,50)52-41-39-47(4,5)6)42-46(3)45(48)38-36-34-32-30-28-26-20-18-16-14-12-10-8-2/h44H,7-43H2,1-6H3