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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S/c23-20(24)17-2-1-8-22(12-17)19(18-6-9-25-13-18)15-3-4-16-11-21-7-5-14(16)10-15/h3-7,9-11,13,17,19H,1-2,8,12H2,(H,23,24)