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

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

Isomeric SMILES

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

InChI

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