1-[(5-methylpyridin-2-yl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

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