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

Systemtic Name: 1-[quinolin-4-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-quinolyl(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[4-quinolinyl(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-4-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-quinolyl(2-thienyl)methyl]isonipecotic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC=CS4

InChI

InChI=1S/C20H20N2O2S/c23-20(24)14-8-11-22(12-9-14)19(18-6-3-13-25-18)16-7-10-21-17-5-2-1-4-15(16)17/h1-7,10,13-14,19H,8-9,11-12H2,(H,23,24)