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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2-pyridyl)methyl]nipecotic acid Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=N2)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=N2)C3=CC=C(S3)Br)C(=O)O

InChI

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