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

Systemtic Name: dimethyl-[4-[oxidanyl-[2-(2-oxidanylidenepropyl)icosoxy]phosphoryl]oxybutyl]azanium Openeye Name: 4-[2-acetonylicosoxy(hydroxy)phosphoryl]oxybutyl-dimethyl-ammonium CAS Name: 4-[hydroxy-[2-(2-oxopropyl)eicosoxy]phosphoryl]oxybutyl-dimethylammonium IUPAC Name: 4-[hydroxy-[2-(2-oxopropyl)icosoxy]phosphoryl]oxybutyl-dimethylazanium Traditional Name: 4-[2-acetonyleicosoxy(hydroxy)phosphoryl]oxybutyl-dimethyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(26-28(2)31)27-35-36(32,33)34-25-22-21-24-30(3)4/h29H,5-27H2,1-4H3,(H,32,33)/p+1