N-(3-chloranyl-4-cyano-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=CS3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=CS3

InChI

InChI=1S/C17H16ClN3OS/c18-14-9-13(6-5-12(14)10-19)20-17(22)11-21-7-1-3-15(21)16-4-2-8-23-16/h2,4-6,8-9,15H,1,3,7,11H2,(H,20,22)/p+1/t15-/m1/s1