dimethyl-[3-(2-octadecyldocosanoylamino)propyl]-(2-oxidanyl-3-phosphonooxy-propyl)azanium

Systemtic Name: dimethyl-[3-(2-octadecyldocosanoylamino)propyl]-(2-oxidanyl-3-phosphonooxy-propyl)azanium Openeye Name: (2-hydroxy-3-phosphonooxy-propyl)-dimethyl-[3-(2-octadecyldocosanoylamino)propyl]ammonium CAS Name: (2-hydroxy-3-phosphonooxypropyl)-dimethyl-[3-[(2-octadecyl-1-oxodocosyl)amino]propyl]ammonium IUPAC Name: (2-hydroxy-3-phosphonooxypropyl)-dimethyl-[3-(2-octadecyldocosanoylamino)propyl]azanium Traditional Name: (2-hydroxy-3-phosphonooxy-propyl)-dimethyl-[3-(2-stearyldocosanoylamino)propyl]ammonium Formula: C48H100N2O6P+ MolecularWeight: 832.291161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)O)O

InChI

InChI=1S/C48H99N2O6P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-41-46(40-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2)48(52)49-42-39-43-50(3,4)44-47(51)45-56-57(53,54)55/h46-47,51H,5-45H2,1-4H3,(H2-,49,52,53,54,55)/p+1