1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylate IUPAC Name: 1-methylpyridin-1-ium-3-carboxylate Traditional Name: trigonelline Formula: C7H7NO2 MolecularWeight: 137.13598

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3