trimethyl-[2-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(2-oxobutyl)eicosoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-(2-ketobutyl)eicosoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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