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

Systemtic Name: dimethyl-[3-[oxidanyl-[2-(2-oxidanylidenepentyl)octadecoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxopentyl)octadecoxy]phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxopentyl)octadecoxy]phosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxopentyl)octadecoxy]phosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[2-(2-ketopentyl)octadecoxy]phosphoryl]oxypropyl-dimethyl-ammonium Formula: C28H59NO5P+ MolecularWeight: 520.745521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(25-28(30)21-6-2)26-34-35(31,32)33-24-20-23-29(3)4/h27H,5-26H2,1-4H3,(H,31,32)/p+1