1-methylpyridin-1-ium-2,6-diamine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methylpyridin-1-ium-2,6-diamine; tris(fluoranyl)methanesulfonate Openeye Name: 1-methylpyridin-1-ium-2,6-diamine; trifluoromethanesulfonate CAS Name: 1-methylpyridin-1-ium-2,6-diamine; trifluoromethanesulfonate IUPAC Name: 1-methylpyridin-1-ium-2,6-diamine; trifluoromethanesulfonate Traditional Name: (6-amino-1-methyl-pyridin-1-ium-2-yl)amine triflate Formula: C7H10F3N3O3S MolecularWeight: 273.23281

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC=C1N)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC=C1N)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H9N3.CHF3O3S/c1-9-5(7)3-2-4-6(9)8;2-1(3,4)8(5,6)7/h2-4H,1H3,(H3,7,8);(H,5,6,7)