dimethyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]oxypropyl]azanium

Systemtic Name: dimethyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxobutyl)eicosoxy]phosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[2-(2-ketobutyl)eicosoxy]phosphoryl]oxypropyl-dimethyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(26-29(31)6-2)27-35-36(32,33)34-25-22-24-30(3)4/h28H,5-27H2,1-4H3,(H,32,33)/p+1