trimethyl-[2-[(2-octadecanoyloxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[(2-octadecanoyloxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(2-octadecanoyloxy-3-octadecoxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-octadecoxy-2-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(2-octadecanoyloxy-3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-stearoyloxy-3-stearyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H91NO7P+ MolecularWeight: 777.169601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/p+1