1-[(5-bromanylthiophen-2-yl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C20H19BrN2O2S/c21-18-4-3-17(26-18)19(23-9-6-13(7-10-23)20(24)25)15-1-2-16-12-22-8-5-14(16)11-15/h1-5,8,11-13,19H,6-7,9-10H2,(H,24,25)