dimethyl-[3-[oxidanyl-[2-(2-oxidanylidenepentyl)henicosoxy]phosphoryl]oxypropyl]azanium

Systemtic Name: dimethyl-[3-[oxidanyl-[2-(2-oxidanylidenepentyl)henicosoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxopentyl)henicosoxy]phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxopentyl)heneicosoxy]phosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxopentyl)henicosoxy]phosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[2-(2-ketopentyl)heneicosoxy]phosphoryl]oxypropyl-dimethyl-ammonium Formula: C31H65NO5P+ MolecularWeight: 562.825261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H64NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(28-31(33)24-6-2)29-37-38(34,35)36-27-23-26-32(3)4/h30H,5-29H2,1-4H3,(H,34,35)/p+1