1-(phenylmethyl)pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 1-benzylpyridin-1-ium-3-carboxylic acid bromide CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 1-benzylpyridin-1-ium-3-carboxylic acid bromide Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid bromide Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)O.[Br-]

InChI

InChI=1S/C13H11NO2.BrH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2;1H