1-[(4-methyl-1,3-thiazol-2-yl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methyl-1,3-thiazol-2-yl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylthiazol-2-yl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methyl-2-thiazolyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methyl-1,3-thiazol-2-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methylthiazol-2-yl)-(3-pyridyl)methyl]isonipecotic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H19N3O2S/c1-11-10-22-15(18-11)14(13-3-2-6-17-9-13)19-7-4-12(5-8-19)16(20)21/h2-3,6,9-10,12,14H,4-5,7-8H2,1H3,(H,20,21)