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

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C19H18ClN4O3S+ MolecularWeight: 417.88922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3S/c20-13-10-12(24(26)27)7-8-14(13)21-18(25)11-23-9-3-5-16(23)19-22-15-4-1-2-6-17(15)28-19/h1-2,4,6-8,10,16H,3,5,9,11H2,(H,21,25)/p+1/t16-/m0/s1