1-[1-(5-bromanylthiophen-2-yl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(5-bromanylthiophen-2-yl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-thienyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(5-bromo-2-thiophenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromothiophen-2-yl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-thienyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C17H19BrN2O2S MolecularWeight: 395.31396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN2O2S/c18-16-5-4-15(23-16)14(11-13-3-1-2-8-19-13)20-9-6-12(7-10-20)17(21)22/h1-5,8,12,14H,6-7,9-11H2,(H,21,22)