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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-bromophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-bromophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-bromophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-bromophenyl)methyl]isonipecotic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O2S/c21-15-5-3-4-14(12-15)18(23-10-8-13(9-11-23)20(24)25)19-22-16-6-1-2-7-17(16)26-19/h1-7,12-13,18H,8-11H2,(H,24,25)