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

Systemtic Name: [1-icosoxy-3-(octadecanoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(icosoxymethyl)-2-(octadecanoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-(1-oxooctadecylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-icosoxy-3-(octadecanoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-stearamido-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H95N2O6P MolecularWeight: 803.230061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CNC(=O)CCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CNC(=O)CCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C46H95N2O6P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-52-44-45(54-55(50,51)53-42-40-48(3,4)5)43-47-46(49)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3,(H-,47,49,50,51)