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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(pyridin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(pyridin-4-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(pyridin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(4-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=CC=NC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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