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

Systemtic Name: [1-octadecoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propan-2-yl] benzoate Openeye Name: [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] benzoate CAS Name: benzoic acid [1-[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C35H57NO7P+ MolecularWeight: 634.803341

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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/p+1