2-[2-butanoyloxyicosoxy(oxidanyl)phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2-butanoyloxyicosoxy(oxidanyl)phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2-butanoyloxyicosoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)eicosoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2-butanoyloxyicosoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2-butyryloxyeicosoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC

InChI

InChI=1S/C29H60NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(36-29(31)23-7-2)27-35-37(32,33)34-26-25-30(3,4)5/h28H,6-27H2,1-5H3/p+1