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

Systemtic Name: 2-[4-[2-(3-fluoranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-(3-fluorophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FN3O3/c1-16-5-7-18(8-6-16)23-20(26)14-24-9-11-25(12-10-24)21(27)15-28-19-4-2-3-17(22)13-19/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)/p+1