sodium 1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate

Systemtic Name: sodium 1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate Openeye Name: sodium 1-[2-(4-pyridyl)ethyl]piperidine-4-carboxylate CAS Name: sodium 1-(2-pyridin-4-ylethyl)-4-piperidinecarboxylate IUPAC Name: sodium 1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate Traditional Name: sodium 1-[2-(4-pyridyl)ethyl]isonipecotate Formula: C13H17N2NaO2 MolecularWeight: 256.27605

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])CCC2=CC=NC=C2.[Na+]

Isomeric SMILES

C1CN(CCC1C(=O)[O-])CCC2=CC=NC=C2.[Na+]

InChI

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