[3-[dimethyl-[3-(2-tetradecyloctadecanoylamino)propyl]azaniumyl]-2-oxidanyl-propyl] hydrogen phosphate

Systemtic Name: [3-[dimethyl-[3-(2-tetradecyloctadecanoylamino)propyl]azaniumyl]-2-oxidanyl-propyl] hydrogen phosphate Openeye Name: [3-[dimethyl-[3-(2-tetradecyloctadecanoylamino)propyl]ammonio]-2-hydroxy-propyl] hydrogen phosphate CAS Name: [3-[dimethyl-[3-[(1-oxo-2-tetradecyloctadecyl)amino]propyl]ammonio]-2-hydroxypropyl] hydrogen phosphate IUPAC Name: [3-[dimethyl-[3-(2-tetradecyloctadecanoylamino)propyl]azaniumyl]-2-hydroxypropyl] hydrogen phosphate Traditional Name: [3-[dimethyl-[3-(2-myristyloctadecanoylamino)propyl]ammonio]-2-hydroxy-propyl] hydrogen phosphate Formula: C40H83N2O6P MolecularWeight: 719.070581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

InChI

InChI=1S/C40H83N2O6P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-33-38(32-29-27-25-23-21-18-16-14-12-10-8-6-2)40(44)41-34-31-35-42(3,4)36-39(43)37-48-49(45,46)47/h38-39,43H,5-37H2,1-4H3,(H2-,41,44,45,46,47)