dimethyl-[4-[oxidanyl-[4-oxidanylidene-2-(pentadecoxymethyl)heptoxy]phosphanyl]oxybutyl]azanium

Systemtic Name: dimethyl-[4-[oxidanyl-[4-oxidanylidene-2-(pentadecoxymethyl)heptoxy]phosphanyl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[4-oxo-2-(pentadecoxymethyl)heptoxy]phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[hydroxy-[4-oxo-2-(pentadecoxymethyl)heptoxy]phosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[hydroxy-[4-oxo-2-(pentadecoxymethyl)heptoxy]phosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(pentadecoxymethyl)heptoxy]phosphino]oxybutyl-dimethyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOCC(CC(=O)CCC)COP(O)OCCCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCOCC(CC(=O)CCC)COP(O)OCCCC[NH+](C)C

InChI

InChI=1S/C29H60NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-23-33-26-28(25-29(31)21-6-2)27-35-36(32)34-24-20-18-22-30(3)4/h28,32H,5-27H2,1-4H3/p+1