[phenyl(pyridin-1-ium-1-yl)methyl] benzoate tetrafluoroborate

Systemtic Name: [phenyl(pyridin-1-ium-1-yl)methyl] benzoate tetrafluoroborate Openeye Name: [phenyl(pyridin-1-ium-1-yl)methyl] benzoate tetrafluoroborate CAS Name: benzoic acid [phenyl(1-pyridin-1-iumyl)methyl] ester tetrafluoroborate IUPAC Name: [phenyl(pyridin-1-ium-1-yl)methyl] benzoate tetrafluoroborate Traditional Name: benzoic acid [phenyl(pyridin-1-ium-1-yl)methyl] ester tetrafluoroborate Formula: C19H16BF4NO2 MolecularWeight: 377.140453

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C([N+]2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C([N+]2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16NO2.BF4/c21-19(17-12-6-2-7-13-17)22-18(16-10-4-1-5-11-16)20-14-8-3-9-15-20;2-1(3,4)5/h1-15,18H;/q+1;-1