1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl(2-thienyl)methyl]nipecotic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C20H20N2O2S/c23-20(24)17-3-1-9-22(13-17)19(18-4-2-10-25-18)15-5-6-16-12-21-8-7-14(16)11-15/h2,4-8,10-12,17,19H,1,3,9,13H2,(H,23,24)