2-[4-[2-(3-fluorophenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(3-fluorophenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-(3-fluorophenyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(3-fluorophenyl)acetyl]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)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FN3O2/c1-16-5-7-19(8-6-16)23-20(26)15-24-9-11-25(12-10-24)21(27)14-17-3-2-4-18(22)13-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)/p+1