2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-bromophenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-bromophenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-bromophenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(2-bromophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-bromophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-bromophenyl)acetamide Formula: C19H19BrN3OS+ MolecularWeight: 417.34266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18BrN3OS/c20-13-6-1-2-7-14(13)21-18(24)12-23-11-5-9-16(23)19-22-15-8-3-4-10-17(15)25-19/h1-4,6-8,10,16H,5,9,11-12H2,(H,21,24)/p+1/t16-/m1/s1