1-[(5-chloranylthiophen-2-yl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-isoquinolin-6-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(6-isoquinolyl)methyl]pipecolinic acid Formula: C20H19ClN2O2S MolecularWeight: 386.89506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H19ClN2O2S/c21-18-7-6-17(26-18)19(23-10-2-1-3-16(23)20(24)25)14-4-5-15-12-22-9-8-13(15)11-14/h4-9,11-12,16,19H,1-3,10H2,(H,24,25)