methyl-[4-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]oxybutyl]azanium

Systemtic Name: methyl-[4-[oxidanyl-[2-(2-oxidanylidenebutyl)icosoxy]phosphoryl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[hydroxy-[2-(2-oxobutyl)eicosoxy]phosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[hydroxy-[2-(2-oxobutyl)icosoxy]phosphoryl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[2-(2-ketobutyl)eicosoxy]phosphoryl]oxybutyl-methyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCC[NH2+]C

InChI

InChI=1S/C29H60NO5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(26-29(31)5-2)27-35-36(32,33)34-25-22-21-24-30-3/h28,30H,4-27H2,1-3H3,(H,32,33)/p+1