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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-pyridyl)methyl]isonipecotic acid Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrN2O2S/c17-14-2-1-13(22-14)15(11-3-7-18-8-4-11)19-9-5-12(6-10-19)16(20)21/h1-4,7-8,12,15H,5-6,9-10H2,(H,20,21)