1-[(3-bromophenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(3-thienyl)methyl]nipecotic acid Formula: C17H18BrNO2S MolecularWeight: 380.29932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2S/c18-15-5-1-3-12(9-15)16(14-6-8-22-11-14)19-7-2-4-13(10-19)17(20)21/h1,3,5-6,8-9,11,13,16H,2,4,7,10H2,(H,20,21)