3-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile Formula: C20H20F2N3O+ MolecularWeight: 356.389106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C#N)F)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C#N)F)F

InChI

InChI=1S/C20H19F2N3O/c1-14(26)16-3-5-20(19(22)11-16)25-8-6-24(7-9-25)13-17-10-15(12-23)2-4-18(17)21/h2-5,10-11H,6-9,13H2,1H3/p+1