2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide Formula: C16H19FN5O2S+ MolecularWeight: 364.417763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=NN=CS3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=NN=CS3)F

InChI

InChI=1S/C16H18FN5O2S/c1-11(23)12-2-3-14(13(17)8-12)22-6-4-21(5-7-22)9-15(24)19-16-20-18-10-25-16/h2-3,8,10H,4-7,9H2,1H3,(H,19,20,24)/p+1