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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(pyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(pyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(2-pyridyl)methyl]isonipecotic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O2S/c23-19(24)13-8-11-22(12-9-13)17(15-6-3-4-10-20-15)18-21-14-5-1-2-7-16(14)25-18/h1-7,10,13,17H,8-9,11-12H2,(H,23,24)