(5-tert-butyl-2-methyl-furan-3-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-furan-3-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-3-furyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-furanyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (5-tert-butyl-2-methylfuran-3-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-3-furyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C20H25F3N3O2+ MolecularWeight: 396.42661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O2/c1-13-15(11-16(28-13)19(2,3)4)18(27)26-9-7-25(8-10-26)17-6-5-14(12-24-17)20(21,22)23/h5-6,11-12H,7-10H2,1-4H3/p+1