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

Systemtic Name: dimethyl-[4-[oxidanyl-[2-(2-oxidanylidenepropyl)octadecoxy]phosphoryl]oxybutyl]azanium Openeye Name: 4-[2-acetonyloctadecoxy(hydroxy)phosphoryl]oxybutyl-dimethyl-ammonium CAS Name: 4-[hydroxy-[2-(2-oxopropyl)octadecoxy]phosphoryl]oxybutyl-dimethylammonium IUPAC Name: 4-[hydroxy-[2-(2-oxopropyl)octadecoxy]phosphoryl]oxybutyl-dimethylazanium Traditional Name: 4-[2-acetonyloctadecoxy(hydroxy)phosphoryl]oxybutyl-dimethyl-ammonium Formula: C27H57NO5P+ MolecularWeight: 506.718941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(24-26(2)29)25-33-34(30,31)32-23-20-19-22-28(3)4/h27H,5-25H2,1-4H3,(H,30,31)/p+1