[2-(12-azanyldodecanoyloxy)-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-(12-azanyldodecanoyloxy)-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(12-aminododecanoyloxy)-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(12-amino-1-oxododecoxy)-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(12-aminododecanoyloxy)-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(12-aminododecanoyloxy)-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C38H77N2O8P MolecularWeight: 721.000341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCN

InChI

InChI=1S/C38H77N2O8P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29-37(41)45-34-36(35-47-49(43,44)46-33-32-40(2,3)4)48-38(42)30-27-24-21-18-16-19-22-25-28-31-39/h36H,5-35,39H2,1-4H3