dimethyl-[4-[oxidanyl-[2-(2-oxidanylidenepentyl)icosoxy]phosphoryl]oxybutyl]azanium

Systemtic Name: dimethyl-[4-[oxidanyl-[2-(2-oxidanylidenepentyl)icosoxy]phosphoryl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxybutyl-dimethyl-ammonium CAS Name: 4-[hydroxy-[2-(2-oxopentyl)eicosoxy]phosphoryl]oxybutyl-dimethylammonium IUPAC Name: 4-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxybutyl-dimethylazanium Traditional Name: 4-[hydroxy-[2-(2-ketopentyl)eicosoxy]phosphoryl]oxybutyl-dimethyl-ammonium Formula: C31H65NO5P+ MolecularWeight: 562.825261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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