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

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-piazthiol-4-yl-acetamide Formula: C18H19FN5OS+ MolecularWeight: 372.439763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN5OS/c19-13-4-6-14(7-5-13)24-10-8-23(9-11-24)12-17(25)20-15-2-1-3-16-18(15)22-26-21-16/h1-7H,8-12H2,(H,20,25)/p+1