2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C19H19F2N4O+ MolecularWeight: 357.377166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F2N4O/c20-14-3-1-4-15(11-14)23-19(26)13-24-7-9-25(10-8-24)18-6-2-5-17(21)16(18)12-22/h1-6,11H,7-10,13H2,(H,23,26)/p+1