[3-octadecanoyloxy-2-[3-(phenylmethoxycarbonylamino)propanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecanoyloxy-2-[3-(phenylmethoxycarbonylamino)propanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[3-(benzyloxycarbonylamino)propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxooctadecoxy)-2-[1-oxo-3-(phenylmethoxycarbonylamino)propoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecanoyloxy-2-[3-(phenylmethoxycarbonylamino)propanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[3-(benzyloxycarbonylamino)propanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C37H65N2O10P MolecularWeight: 728.893161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C37H65N2O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-35(40)45-31-34(32-48-50(43,44)47-29-28-39(2,3)4)49-36(41)26-27-38-37(42)46-30-33-23-20-19-21-24-33/h19-21,23-24,34H,5-18,22,25-32H2,1-4H3,(H-,38,42,43,44)