N-(5-chloranyl-2-cyano-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H17ClN5OS+ MolecularWeight: 362.85708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=NC=CS3

InChI

InChI=1S/C16H16ClN5OS/c17-13-2-1-12(10-18)14(9-13)20-15(23)11-21-4-6-22(7-5-21)16-19-3-8-24-16/h1-3,8-9H,4-7,11H2,(H,20,23)/p+1