methyl 1-(phenylmethyl)pyridin-1-ium-4-carboxylate tetrafluoroborate

Systemtic Name: methyl 1-(phenylmethyl)pyridin-1-ium-4-carboxylate tetrafluoroborate Openeye Name: methyl 1-benzylpyridin-1-ium-4-carboxylate tetrafluoroborate CAS Name: 1-(phenylmethyl)-4-pyridin-1-iumcarboxylic acid methyl ester tetrafluoroborate IUPAC Name: methyl 1-benzylpyridin-1-ium-4-carboxylate tetrafluoroborate Traditional Name: 1-benzylpyridin-1-ium-4-carboxylic acid methyl ester tetrafluoroborate Formula: C14H14BF4NO2 MolecularWeight: 315.071073

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC(=O)C1=CC=[N+](C=C1)CC2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.COC(=O)C1=CC=[N+](C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C14H14NO2.BF4/c1-17-14(16)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12;2-1(3,4)5/h2-10H,11H2,1H3;/q+1;-1