2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidino]nicotinic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C18H17N3O2S/c22-18(23)13-4-3-9-19-16(13)21-10-7-12(8-11-21)17-20-14-5-1-2-6-15(14)24-17/h1-6,9,12H,7-8,10-11H2,(H,22,23)