2-(3-ethanoylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-ethanoylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(3-acetylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(3-acetylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-acetylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(3-acetylphenoxy)-1-[4-[5-(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(=CC=C1)OCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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