1-[(5-chloranylthiophen-2-yl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(4-pyridyl)methyl]nipecotic acid Formula: C16H17ClN2O2S MolecularWeight: 336.83638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O2S/c17-14-4-3-13(22-14)15(11-5-7-18-8-6-11)19-9-1-2-12(10-19)16(20)21/h3-8,12,15H,1-2,9-10H2,(H,20,21)