(1-methylpyridin-1-ium-3-yl) benzoate bromide

Systemtic Name: (1-methylpyridin-1-ium-3-yl) benzoate bromide Openeye Name: (1-methylpyridin-1-ium-3-yl) benzoate bromide CAS Name: benzoic acid (1-methyl-3-pyridin-1-iumyl) ester bromide IUPAC Name: (1-methylpyridin-1-ium-3-yl) benzoate bromide Traditional Name: benzoic acid (1-methylpyridin-1-ium-3-yl) ester bromide Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12NO2.BrH/c1-14-9-5-8-12(10-14)16-13(15)11-6-3-2-4-7-11;/h2-10H,1H3;1H/q+1;/p-1