[3-octadecoxy-2-(phenylcarbonyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [3-octadecoxy-2-(phenylcarbonyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: (2-benzoyloxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: (2-benzoyloxy-3-octadecoxypropyl) 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: (2-benzoyloxy-3-octadecoxypropyl) 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: (2-benzoyloxy-3-stearyloxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Formula: C35H56NO7P MolecularWeight: 633.795401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C35H56NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-40-31-34(43-35(37)33-24-19-17-20-25-33)32-42-44(38,39)41-30-28-36-26-21-18-22-27-36/h17-22,24-27,34H,2-16,23,28-32H2,1H3