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

Systemtic Name: methyl-[3-[oxidanyl-[2-(2-oxidanylidenepentyl)octadecoxy]phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-(2-oxopentyl)octadecoxy]phosphoryl]oxypropyl-methyl-ammonium CAS Name: 3-[hydroxy-[2-(2-oxopentyl)octadecoxy]phosphoryl]oxypropyl-methylammonium IUPAC Name: 3-[hydroxy-[2-(2-oxopentyl)octadecoxy]phosphoryl]oxypropyl-methylazanium Traditional Name: 3-[hydroxy-[2-(2-ketopentyl)octadecoxy]phosphoryl]oxypropyl-methyl-ammonium Formula: C27H57NO5P+ MolecularWeight: 506.718941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(24-27(29)20-5-2)25-33-34(30,31)32-23-19-22-28-3/h26,28H,4-25H2,1-3H3,(H,30,31)/p+1