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

Systemtic Name: [1-icosoxy-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(2-benzyloxy-2-oxo-ethyl)amino]methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-icosoxy-3-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[(2-benzoxy-2-keto-ethyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C37H69N2O7P MolecularWeight: 684.926721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H69N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-43-34-36(46-47(41,42)45-30-28-39(2,3)4)31-38-32-37(40)44-33-35-26-23-22-24-27-35/h22-24,26-27,36,38H,5-21,25,28-34H2,1-4H3