dimethyl-[4-[oxidanyl-[2-(2-oxidanylidenebutyl)octadecoxy]phosphoryl]oxybutyl]azanium

Systemtic Name: dimethyl-[4-[oxidanyl-[2-(2-oxidanylidenebutyl)octadecoxy]phosphoryl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-(2-oxobutyl)octadecoxy]phosphoryl]oxybutyl-dimethyl-ammonium CAS Name: 4-[hydroxy-[2-(2-oxobutyl)octadecoxy]phosphoryl]oxybutyl-dimethylammonium IUPAC Name: 4-[hydroxy-[2-(2-oxobutyl)octadecoxy]phosphoryl]oxybutyl-dimethylazanium Traditional Name: 4-[hydroxy-[2-(2-ketobutyl)octadecoxy]phosphoryl]oxybutyl-dimethyl-ammonium Formula: C28H59NO5P+ MolecularWeight: 520.745521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCC[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)6-2)26-34-35(31,32)33-24-21-20-23-29(3)4/h27H,5-26H2,1-4H3,(H,31,32)/p+1