methyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)henicosoxy]phosphoryl]oxypropyl]azanium

Systemtic Name: methyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)henicosoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxobutyl)henicosoxy]phosphoryl]oxypropyl-methyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxobutyl)heneicosoxy]phosphoryl]oxypropyl-methylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxobutyl)henicosoxy]phosphoryl]oxypropyl-methylazanium Traditional Name: 3-[hydroxy-[2-(2-ketobutyl)heneicosoxy]phosphoryl]oxypropyl-methyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCC[NH2+]C

InChI

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