1-[pyridin-4-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[pyridin-4-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-pyridyl(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[pyridin-4-yl(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-pyridyl(2-thienyl)methyl]isonipecotic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CC=CS3

InChI

InChI=1S/C16H18N2O2S/c19-16(20)13-5-9-18(10-6-13)15(14-2-1-11-21-14)12-3-7-17-8-4-12/h1-4,7-8,11,13,15H,5-6,9-10H2,(H,19,20)