1-[isoquinolin-6-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl(3-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=CSC=C4

Isomeric SMILES

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

InChI

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