1-[(5-bromanylthiophen-2-yl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-isoquinolin-6-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(6-isoquinolyl)methyl]nipecotic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br)C(=O)O

InChI

InChI=1S/C20H19BrN2O2S/c21-18-6-5-17(26-18)19(23-9-1-2-16(12-23)20(24)25)14-3-4-15-11-22-8-7-13(15)10-14/h3-8,10-11,16,19H,1-2,9,12H2,(H,24,25)