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

Systemtic Name: 1-[(5-methylthiophen-2-yl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-12-5-6-15(22-12)16(14-4-2-3-9-18-14)19-10-7-13(8-11-19)17(20)21/h2-6,9,13,16H,7-8,10-11H2,1H3,(H,20,21)