1-methylpyridin-1-ium-3-carboxylate hydrochloride

Systemtic Name: 1-methylpyridin-1-ium-3-carboxylate hydrochloride Openeye Name: 1-methylpyridin-1-ium-3-carboxylate hydrochloride CAS Name: 1-methyl-3-pyridin-1-iumcarboxylate hydrochloride IUPAC Name: 1-methylpyridin-1-ium-3-carboxylate hydrochloride Traditional Name: trigonelline hydrochloride Formula: C7H8ClNO2 MolecularWeight: 173.59692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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