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

Systemtic Name: [1-icosoxy-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-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-[(17-oxo-17-phenylmethoxyheptadecyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-icosoxy-3-[(17-oxo-17-phenylmethoxyheptadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[(17-benzoxy-17-keto-heptadecyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C52H99N2O7P MolecularWeight: 895.325421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H99N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-39-45-58-49-51(61-62(56,57)60-46-44-54(2,3)4)47-53-43-38-32-29-26-23-20-17-16-19-22-25-28-31-37-42-52(55)59-48-50-40-35-34-36-41-50/h34-36,40-41,51,53H,5-33,37-39,42-49H2,1-4H3