2-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-ium-5-amine iodide

Systemtic Name: 2-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-ium-5-amine iodide Openeye Name: 2-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-ium-5-amine iodide CAS Name: 2-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-ium-5-amine iodide IUPAC Name: 2-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-ium-5-amine iodide Traditional Name: [1-methyl-1-[3-(trifluoromethyl)phenyl]-2-pyrazolin-1-ium-3-yl]amine iodide Formula: C11H13F3IN3 MolecularWeight: 371.1407

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=N1)N)C2=CC=CC(=C2)C(F)(F)F.[I-]

Isomeric SMILES

C[N+]1(CCC(=N1)N)C2=CC=CC(=C2)C(F)(F)F.[I-]

InChI

InChI=1S/C11H13F3N3.HI/c1-17(6-5-10(15)16-17)9-4-2-3-8(7-9)11(12,13)14;/h2-4,7H,5-6H2,1H3,(H2,15,16);1H/q+1;/p-1