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

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone Formula: C20H20F3N3O2+2 MolecularWeight: 391.38691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC3=CC=CC=C3O2)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC3=CC=CC=C3O2)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)15-5-6-19(24-12-15)26-9-7-25(8-10-26)13-16(27)18-11-14-3-1-2-4-17(14)28-18/h1-6,11-12H,7-10,13H2/p+2