(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxylate Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O2/c15-12(16)10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/t10-/m0/s1