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

Systemtic Name: [3-octadecanoyloxy-2-[12-(phenylmethoxycarbonylamino)dodecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[12-(benzyloxycarbonylamino)dodecanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxooctadecoxy)-2-[1-oxo-12-(phenylmethoxycarbonylamino)dodecoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecanoyloxy-2-[12-(phenylmethoxycarbonylamino)dodecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[12-(benzyloxycarbonylamino)dodecanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H83N2O10P MolecularWeight: 855.132381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H83N2O10P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-29-34-44(49)54-40-43(41-57-59(52,53)56-38-37-48(2,3)4)58-45(50)35-30-24-21-18-16-19-22-25-31-36-47-46(51)55-39-42-32-27-26-28-33-42/h26-28,32-33,43H,5-25,29-31,34-41H2,1-4H3,(H-,47,51,52,53)