N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-piazthiol-5-yl-acetamide Formula: C18H19ClN5OS+ MolecularWeight: 388.89436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN5OS/c19-13-1-4-15(5-2-13)24-9-7-23(8-10-24)12-18(25)20-14-3-6-16-17(11-14)22-26-21-16/h1-6,11H,7-10,12H2,(H,20,25)/p+1