2-(6-methoxy-1-benzofuran-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(6-methoxybenzofuran-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(6-methoxy-3-benzofuranyl)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(6-methoxybenzofuran-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethanone Formula: C21H21F3N3O3+ MolecularWeight: 420.40495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3/c1-29-16-3-4-17-14(13-30-18(17)11-16)10-20(28)27-8-6-26(7-9-27)19-5-2-15(12-25-19)21(22,23)24/h2-5,11-13H,6-10H2,1H3/p+1