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

Systemtic Name: [1-icosoxy-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-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-[(21-oxo-21-phenylmethoxyheneicosyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-icosoxy-3-[(21-oxo-21-phenylmethoxyhenicosyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[(21-benzoxy-21-keto-heneicosyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C56H107N2O7P MolecularWeight: 951.431741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H107N2O7P/c1-5-6-7-8-9-10-11-12-13-14-19-22-25-28-31-34-37-43-49-62-53-55(65-66(60,61)64-50-48-58(2,3)4)51-57-47-42-36-33-30-27-24-21-18-16-15-17-20-23-26-29-32-35-41-46-56(59)63-52-54-44-39-38-40-45-54/h38-40,44-45,55,57H,5-37,41-43,46-53H2,1-4H3