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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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