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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C20H19ClN5OS+ MolecularWeight: 412.91576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18ClN5OS/c21-16-11-15(6-5-14(16)12-22)23-19(27)13-25-7-9-26(10-8-25)20-24-17-3-1-2-4-18(17)28-20/h1-6,11H,7-10,13H2,(H,23,27)/p+1