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

Systemtic Name: 1-[pyridin-2-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-pyridyl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-pyridinyl(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-2-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-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=CSC=C2)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=CC=CC=N3

InChI

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