1-[pyridin-4-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[pyridin-4-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-pyridyl(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[pyridin-4-yl(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-pyridyl(2-thienyl)methyl]nipecotic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C16H18N2O2S/c19-16(20)13-3-1-9-18(11-13)15(14-4-2-10-21-14)12-5-7-17-8-6-12/h2,4-8,10,13,15H,1,3,9,11H2,(H,19,20)