[3-(octadecanoylamino)-2-octoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-(octadecanoylamino)-2-octoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-(octadecanoylamino)-2-octoxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-octoxy-3-(1-oxooctadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-(octadecanoylamino)-2-octoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-octoxy-3-stearamido-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C34H71N2O6P MolecularWeight: 634.911101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H71N2O6P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-34(37)35-31-33(40-29-26-24-13-11-9-7-2)32-42-43(38,39)41-30-28-36(3,4)5/h33H,6-32H2,1-5H3,(H-,35,37,38,39)