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

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

Isomeric SMILES

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

InChI

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