2-methyl-N-(pyridin-1-ium-3-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-(pyridin-1-ium-3-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-methyl-N-(pyridin-1-ium-3-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-methyl-N-(3-pyridin-1-iumylmethyl)-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-(pyridin-1-ium-3-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-methyl-N-(pyridin-1-ium-3-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C12H12F3N4O+ MolecularWeight: 285.24509

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)C(=O)NCC2=C[NH+]=CC=C2

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)C(=O)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C12H11F3N4O/c1-19-9(5-10(18-19)12(13,14)15)11(20)17-7-8-3-2-4-16-6-8/h2-6H,7H2,1H3,(H,17,20)/p+1