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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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