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

Systemtic Name: methyl-[3-[oxidanyl-[2-(2-oxidanylidenebutyl)octadecoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxobutyl)octadecoxy]phosphoryl]oxypropyl-methyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxobutyl)octadecoxy]phosphoryl]oxypropyl-methylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxobutyl)octadecoxy]phosphoryl]oxypropyl-methylazanium Traditional Name: 3-[hydroxy-[2-(2-ketobutyl)octadecoxy]phosphoryl]oxypropyl-methyl-ammonium Formula: C26H55NO5P+ MolecularWeight: 492.692361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54NO5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(23-26(28)5-2)24-32-33(29,30)31-22-19-21-27-3/h25,27H,4-24H2,1-3H3,(H,29,30)/p+1