[1-octadecoxy-3-(phenylmethoxycarbonylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-octadecoxy-3-(phenylmethoxycarbonylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(benzyloxycarbonylaminomethyl)-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-(phenylmethoxycarbonylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-octadecoxy-3-(phenylmethoxycarbonylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(benzyloxycarbonylaminomethyl)-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C34H63N2O7P MolecularWeight: 642.846981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H63N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-40-31-33(43-44(38,39)42-28-26-36(2,3)4)29-35-34(37)41-30-32-24-21-20-22-25-32/h20-22,24-25,33H,5-19,23,26-31H2,1-4H3,(H-,35,37,38,39)