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

Systemtic Name: [1-hexadecoxy-3-(hexadecylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(hexadecoxymethyl)-2-(hexadecylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-(hexadecylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-(hexadecylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(cetylamino)methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C40H85N2O5P MolecularWeight: 705.087061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H85N2O5P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41-38-40(47-48(43,44)46-37-35-42(3,4)5)39-45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40-41H,6-39H2,1-5H3