2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methoxypiperazin-4-ium-1-yl)ethanone bromide

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methoxypiperazin-4-ium-1-yl)ethanone bromide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methoxypiperazin-4-ium-1-yl)ethanone bromide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-(4-methoxy-1-piperazin-4-iumyl)ethanone bromide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methoxypiperazin-4-ium-1-yl)ethanone bromide Traditional Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methoxypiperazin-4-ium-1-yl)ethanone bromide Formula: C12H17Br2F3N4O2 MolecularWeight: 466.09219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CC[NH+](CC2)OC)C(F)(F)F)Br.[Br-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CC[NH+](CC2)OC)C(F)(F)F)Br.[Br-]

InChI

InChI=1S/C12H16BrF3N4O2.BrH/c1-8-10(13)11(12(14,15)16)17-20(8)7-9(21)18-3-5-19(22-2)6-4-18;/h3-7H2,1-2H3;1H