1-pyridin-1-ium-1-ylpropyl benzoate tetrafluoroborate

Systemtic Name: 1-pyridin-1-ium-1-ylpropyl benzoate tetrafluoroborate Openeye Name: 1-pyridin-1-ium-1-ylpropyl benzoate tetrafluoroborate CAS Name: benzoic acid 1-(1-pyridin-1-iumyl)propyl ester tetrafluoroborate IUPAC Name: 1-pyridin-1-ium-1-ylpropyl benzoate tetrafluoroborate Traditional Name: benzoic acid 1-pyridin-1-ium-1-ylpropyl ester tetrafluoroborate Formula: C15H16BF4NO2 MolecularWeight: 329.097653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2.BF4/c1-2-14(16-11-7-4-8-12-16)18-15(17)13-9-5-3-6-10-13;2-1(3,4)5/h3-12,14H,2H2,1H3;/q+1;-1