4-bromanyl-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-2-methyl-N-(1-methyl-4-piperidin-1-iumyl)-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-2-methyl-N-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C12H17BrF3N4O+ MolecularWeight: 370.18879

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=C(C(=NN2C)C(F)(F)F)Br

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=C(C(=NN2C)C(F)(F)F)Br

InChI

InChI=1S/C12H16BrF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)18-20(9)2/h7H,3-6H2,1-2H3,(H,17,21)/p+1