[1-hexadecoxy-3-[(17-oxidanylidene-17-phenylmethoxy-heptadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-hexadecoxy-3-[(17-oxidanylidene-17-phenylmethoxy-heptadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(17-benzyloxy-17-oxo-heptadecyl)amino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[(17-oxo-17-phenylmethoxyheptadecyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-[(17-oxo-17-phenylmethoxyheptadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[(17-benzoxy-17-keto-heptadecyl)amino]methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C48H91N2O7P MolecularWeight: 839.219101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C48H91N2O7P/c1-5-6-7-8-9-10-11-12-17-20-23-26-29-35-41-54-45-47(57-58(52,53)56-42-40-50(2,3)4)43-49-39-34-28-25-22-19-16-14-13-15-18-21-24-27-33-38-48(51)55-44-46-36-31-30-32-37-46/h30-32,36-37,47,49H,5-29,33-35,38-45H2,1-4H3