[1-octadecoxy-3-[(21-oxidanylidene-21-phenylmethoxy-henicosyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-octadecoxy-3-[(21-oxidanylidene-21-phenylmethoxy-henicosyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(21-benzyloxy-21-oxo-henicosyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-[(21-oxo-21-phenylmethoxyheneicosyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-octadecoxy-3-[(21-oxo-21-phenylmethoxyhenicosyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[(21-benzoxy-21-keto-heneicosyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C54H103N2O7P MolecularWeight: 923.378581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H103N2O7P/c1-5-6-7-8-9-10-11-12-13-20-23-26-29-32-35-41-47-60-51-53(63-64(58,59)62-48-46-56(2,3)4)49-55-45-40-34-31-28-25-22-19-17-15-14-16-18-21-24-27-30-33-39-44-54(57)61-50-52-42-37-36-38-43-52/h36-38,42-43,53,55H,5-35,39-41,44-51H2,1-4H3