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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

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