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

Systemtic Name: dimethyl-[3-[oxidanyl-[2-(2-oxidanylidenepentyl)icosoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxopentyl)eicosoxy]phosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[2-(2-ketopentyl)eicosoxy]phosphoryl]oxypropyl-dimethyl-ammonium Formula: C30H63NO5P+ MolecularWeight: 548.798681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29(27-30(32)23-6-2)28-36-37(33,34)35-26-22-25-31(3)4/h29H,5-28H2,1-4H3,(H,33,34)/p+1