dimethyl-[2-[oxidanyl-[2-(2-oxidanylidenepentyl)icosoxy]phosphoryl]oxyethyl]azanium

Systemtic Name: dimethyl-[2-[oxidanyl-[2-(2-oxidanylidenepentyl)icosoxy]phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxyethyl-dimethyl-ammonium CAS Name: 2-[hydroxy-[2-(2-oxopentyl)eicosoxy]phosphoryl]oxyethyl-dimethylammonium IUPAC Name: 2-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[2-(2-ketopentyl)eicosoxy]phosphoryl]oxyethyl-dimethyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)CCC)COP(=O)(O)OCC[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)22-6-2)27-35-36(32,33)34-25-24-30(3)4/h28H,5-27H2,1-4H3,(H,32,33)/p+1