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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CS4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CS4

InChI

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