1-methylpyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methylpyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-methylpyridin-1-ium-4-amine; trifluoromethanesulfonate CAS Name: 1-methyl-4-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: 1-methylpyridin-1-ium-4-amine; trifluoromethanesulfonate Traditional Name: (1-methylpyridin-1-ium-4-yl)amine triflate Formula: C7H9F3N2O3S MolecularWeight: 258.21817

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H8N2.CHF3O3S/c1-8-4-2-6(7)3-5-8;2-1(3,4)8(5,6)7/h2-5,7H,1H3;(H,5,6,7)