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

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O/c1-15-5-3-7-19(16(15)2)24-21(27)14-25-9-11-26(12-10-25)20-8-4-6-18(22)17(20)13-23/h3-8H,9-12,14H2,1-2H3,(H,24,27)/p+1