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

Systemtic Name: 2-[4-[2-(3-ethanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-(3-acetylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H25FN3O4+ MolecularWeight: 414.450003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O4/c1-16(27)17-3-2-4-20(13-17)30-15-22(29)26-11-9-25(10-12-26)14-21(28)24-19-7-5-18(23)6-8-19/h2-8,13H,9-12,14-15H2,1H3,(H,24,28)/p+1