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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3/c1-13-16-11-15(29-2)4-5-17(16)30-19(13)20(28)27-9-7-26(8-10-27)18-6-3-14(12-25-18)21(22,23)24/h3-6,11-12H,7-10H2,1-2H3/p+1