2-(4-ethanoylphenoxy)-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethanoylphenoxy)-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(4-acetylphenoxy)-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(4-acetylphenoxy)-1-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-acetylphenoxy)-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(4-acetylphenoxy)-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethanone Formula: C20H21F3N3O3+ MolecularWeight: 408.39425

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O3/c1-14(27)15-4-6-16(7-5-15)29-13-18(28)25-9-11-26(12-10-25)19-17(20(21,22)23)3-2-8-24-19/h2-8H,9-13H2,1H3/p+1