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

Systemtic Name: 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide Formula: C20H22F2N3O2+ MolecularWeight: 374.404386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3F)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3F)F

InChI

InChI=1S/C20H21F2N3O2/c1-14(26)15-6-7-19(17(22)12-15)25-10-8-24(9-11-25)13-20(27)23-18-5-3-2-4-16(18)21/h2-7,12H,8-11,13H2,1H3,(H,23,27)/p+1