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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-[(cyclopropylamino)-oxomethyl]acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)acetamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC(=O)NC2CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC(=O)NC2CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H20N4O2S/c22-15(20-17(23)18-11-7-8-11)10-21-9-3-5-13(21)16-19-12-4-1-2-6-14(12)24-16/h1-2,4,6,11,13H,3,5,7-10H2,(H2,18,20,22,23)/p+1/t13-/m1/s1