2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C20H18ClN4OS+ MolecularWeight: 397.90112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17ClN4OS/c21-15-10-14(8-7-13(15)11-22)23-19(26)12-25-9-3-5-17(25)20-24-16-4-1-2-6-18(16)27-20/h1-2,4,6-8,10,17H,3,5,9,12H2,(H,23,26)/p+1/t17-/m1/s1