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

Systemtic Name: 1-[pyridin-4-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-pyridyl(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[pyridin-4-yl(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-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=CC=NC=C2)C3=CSC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c19-16(20)13-2-1-8-18(10-13)15(14-5-9-21-11-14)12-3-6-17-7-4-12/h3-7,9,11,13,15H,1-2,8,10H2,(H,19,20)