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

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-carboxylic acid Openeye Name: 1-benzylpyridin-1-ium-3-carboxylic acid CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-benzylpyridin-1-ium-3-carboxylic acid Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid Formula: C13H12NO2+ MolecularWeight: 214.23988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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