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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2/c1-15-3-6-18(13-20(15)22)23-21(27)14-24-9-11-25(12-10-24)19-7-4-17(5-8-19)16(2)26/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)/p+1