2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H20FN4O2S+ MolecularWeight: 399.461803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H19FN4O2S/c21-15-2-4-16(5-3-15)23-19(26)12-24-7-9-25(10-8-24)20(27)14-1-6-17-18(11-14)28-13-22-17/h1-6,11,13H,7-10,12H2,(H,23,26)/p+1