trimethyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)henicosoxy]phosphoryl]propyl]azanium

Systemtic Name: trimethyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)henicosoxy]phosphoryl]propyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxobutyl)henicosoxy]phosphoryl]propyl-trimethyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxobutyl)heneicosoxy]phosphoryl]propyl-trimethylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxobutyl)henicosoxy]phosphoryl]propyl-trimethylazanium Traditional Name: 3-[hydroxy-[2-(2-ketobutyl)heneicosoxy]phosphoryl]propyl-trimethyl-ammonium Formula: C31H65NO4P+ MolecularWeight: 546.825861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(CCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(CCC[N+](C)(C)C)O

InChI

InChI=1S/C31H64NO4P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30(28-31(33)7-2)29-36-37(34,35)27-24-26-32(3,4)5/h30H,6-29H2,1-5H3/p+1