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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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