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

Systemtic Name: [3-octadecoxy-2-(phenylcarbonyloxy)propyl] 3-pyridin-1-ium-1-ylpropyl phosphate Openeye Name: (2-benzoyloxy-3-octadecoxy-propyl) 3-pyridin-1-ium-1-ylpropyl phosphate CAS Name: (2-benzoyloxy-3-octadecoxypropyl) 3-(1-pyridin-1-iumyl)propyl phosphate IUPAC Name: (2-benzoyloxy-3-octadecoxypropyl) 3-pyridin-1-ium-1-ylpropyl phosphate Traditional Name: (2-benzoyloxy-3-stearyloxy-propyl) 3-pyridin-1-ium-1-ylpropyl phosphate Formula: C36H58NO7P MolecularWeight: 647.821981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-41-32-35(44-36(38)34-25-19-17-20-26-34)33-43-45(39,40)42-31-24-29-37-27-21-18-22-28-37/h17-22,25-28,35H,2-16,23-24,29-33H2,1H3