1-(5-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: 1-(5-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: 1-(5-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(5-methyl-2-pyridin-1-iumyl)-4-piperidinecarboxylate IUPAC Name: 1-(5-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-methylpyridin-1-ium-2-yl)isonipecotate Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O2/c1-9-2-3-11(13-8-9)14-6-4-10(5-7-14)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)