2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]acetate Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC(=O)[O-])CC2=CN=CC=C2

Isomeric SMILES

C1C[NH+](CCC1CC(=O)[O-])CC2=CN=CC=C2

InChI

InChI=1S/C13H18N2O2/c16-13(17)8-11-3-6-15(7-4-11)10-12-2-1-5-14-9-12/h1-2,5,9,11H,3-4,6-8,10H2,(H,16,17)