[3-octadecanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[4-(benzyloxycarbonylamino)butanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxooctadecoxy)-2-[1-oxo-4-(phenylmethoxycarbonylamino)butoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecanoyloxy-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[4-(benzyloxycarbonylamino)butanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C38H67N2O10P MolecularWeight: 742.919741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H67N2O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-36(41)46-32-35(33-49-51(44,45)48-30-29-40(2,3)4)50-37(42)27-23-28-39-38(43)47-31-34-24-20-19-21-25-34/h19-21,24-25,35H,5-18,22-23,26-33H2,1-4H3,(H-,39,43,44,45)