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

Systemtic Name: [1-octadecoxy-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-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-[(17-oxo-17-phenylmethoxyheptadecyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-octadecoxy-3-[(17-oxo-17-phenylmethoxyheptadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[(17-benzoxy-17-keto-heptadecyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C50H95N2O7P MolecularWeight: 867.272261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H95N2O7P/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-37-43-56-47-49(59-60(54,55)58-44-42-52(2,3)4)45-51-41-36-30-27-24-21-18-15-14-17-20-23-26-29-35-40-50(53)57-46-48-38-33-32-34-39-48/h32-34,38-39,49,51H,5-31,35-37,40-47H2,1-4H3