(3S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-3-carboxylate Openeye Name: (3S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(5-methyl-2-pyridin-1-iumyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5-methylpyridin-1-ium-2-yl)nipecotate Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O2/c1-9-4-5-11(13-7-9)14-6-2-3-10(8-14)12(15)16/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)/t10-/m0/s1