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

Systemtic Name: methyl-[4-[oxidanyl-[2-(2-oxidanylidenepentyl)icosoxy]phosphoryl]oxybutyl]azanium Openeye Name: 4-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[hydroxy-[2-(2-oxopentyl)eicosoxy]phosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[hydroxy-[2-(2-oxopentyl)icosoxy]phosphoryl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[2-(2-ketopentyl)eicosoxy]phosphoryl]oxybutyl-methyl-ammonium Formula: C30H63NO5P+ MolecularWeight: 548.798681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(27-30(32)23-5-2)28-36-37(33,34)35-26-22-21-25-31-3/h29,31H,4-28H2,1-3H3,(H,33,34)/p+1