[2-ethoxy-3-(icosanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-ethoxy-3-(icosanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-ethoxy-3-(icosanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-ethoxy-3-(1-oxoeicosylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-ethoxy-3-(icosanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-(eicosanoylamino)-2-ethoxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C30H63N2O6P MolecularWeight: 578.804781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC

InChI

InChI=1S/C30H63N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)31-27-29(36-7-2)28-38-39(34,35)37-26-25-32(3,4)5/h29H,6-28H2,1-5H3,(H-,31,33,34,35)