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

Systemtic Name: 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(4-methylthiazol-2-yl)acetamide Formula: C18H22FN4O2S+ MolecularWeight: 377.456283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C18H21FN4O2S/c1-12-11-26-18(20-12)21-17(25)10-22-5-7-23(8-6-22)16-4-3-14(13(2)24)9-15(16)19/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21,25)/p+1