(3R)-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(2-pyridin-4-ylethyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-carboxylate Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=NC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCC2=CC=NC=C2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O2/c16-13(17)12-2-1-8-15(10-12)9-5-11-3-6-14-7-4-11/h3-4,6-7,12H,1-2,5,8-10H2,(H,16,17)/t12-/m1/s1