[3-octadecanoyloxy-2-[5-(phenylmethoxycarbonylamino)pentanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecanoyloxy-2-[5-(phenylmethoxycarbonylamino)pentanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[5-(benzyloxycarbonylamino)pentanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxooctadecoxy)-2-[1-oxo-5-(phenylmethoxycarbonylamino)pentoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecanoyloxy-2-[5-(phenylmethoxycarbonylamino)pentanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[5-(benzyloxycarbonylamino)pentanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C39H69N2O10P MolecularWeight: 756.946321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H69N2O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-37(42)47-33-36(34-50-52(45,46)49-31-30-41(2,3)4)51-38(43)28-23-24-29-40-39(44)48-32-35-25-20-19-21-26-35/h19-21,25-26,36H,5-18,22-24,27-34H2,1-4H3,(H-,40,44,45,46)