4-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-ium-3-carboxamide

Systemtic Name: 4-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-ium-3-carboxamide Openeye Name: 4-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-ium-3-carboxamide CAS Name: 4-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-ium-3-carboxamide IUPAC Name: 4-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-ium-3-carboxamide Traditional Name: 4-methyl-4-[3-(trifluoromethyl)benzyl]-1,2,4-triazol-4-ium-3-carboxamide Formula: C12H12F3N4O+ MolecularWeight: 285.24509

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=NN=C1C(=O)N)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C[N+]1(C=NN=C1C(=O)N)CC2=CC(=CC=C2)C(F)(F)F

InChI

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