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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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