1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(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=CC3=C(C=C2)C=NC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CS4

InChI

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