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

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C20H22FN4O+ MolecularWeight: 353.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C20H21FN4O/c1-15-5-7-16(8-6-15)23-20(26)14-24-9-11-25(12-10-24)19-4-2-3-18(21)17(19)13-22/h2-8H,9-12,14H2,1H3,(H,23,26)/p+1