(2-methyl-1-pyridin-1-ium-1-yl-prop-2-enyl) benzoate tetrafluoroborate

Systemtic Name: (2-methyl-1-pyridin-1-ium-1-yl-prop-2-enyl) benzoate tetrafluoroborate Openeye Name: (2-methyl-1-pyridin-1-ium-1-yl-allyl) benzoate tetrafluoroborate CAS Name: benzoic acid [2-methyl-1-(1-pyridin-1-iumyl)prop-2-enyl] ester tetrafluoroborate IUPAC Name: (2-methyl-1-pyridin-1-ium-1-ylprop-2-enyl) benzoate tetrafluoroborate Traditional Name: benzoic acid (2-methyl-1-pyridin-1-ium-1-yl-allyl) ester tetrafluoroborate Formula: C16H16BF4NO2 MolecularWeight: 341.108353

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=C)C([N+]1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CC(=C)C([N+]1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16NO2.BF4/c1-13(2)15(17-11-7-4-8-12-17)19-16(18)14-9-5-3-6-10-14;2-1(3,4)5/h3-12,15H,1H2,2H3;/q+1;-1