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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CN=CC=C2)C3=CSC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CN=CC=C2)C3=CSC=C3)C(=O)O

InChI

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