2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-1-ium-3-yl-ethanamide

Systemtic Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-1-ium-3-yl-ethanamide Openeye Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-1-ium-3-yl-acetamide CAS Name: 2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(3-pyridin-1-iumyl)acetamide IUPAC Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-1-ium-3-ylacetamide Traditional Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-1-ium-3-yl-acetamide Formula: C12H12F3N4O+ MolecularWeight: 285.24509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2=C[NH+]=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC2=C[NH+]=CC=C2)C(F)(F)F

InChI

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