[1-octadecoxy-3-[oxidanyl(3-pyridin-1-ium-1-ylpropoxy)phosphoryl]oxy-propan-2-yl] benzoate

Systemtic Name: [1-octadecoxy-3-[oxidanyl(3-pyridin-1-ium-1-ylpropoxy)phosphoryl]oxy-propan-2-yl] benzoate Openeye Name: [1-[[hydroxy(3-pyridin-1-ium-1-ylpropoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] benzoate CAS Name: benzoic acid [1-[hydroxy-[3-(1-pyridin-1-iumyl)propoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(3-pyridin-1-ium-1-ylpropoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[hydroxy(3-pyridin-1-ium-1-ylpropoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C36H59NO7P+ MolecularWeight: 648.829921

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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/p+1