N,1-dimethyl-5-nitro-pyridin-1-ium-2-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: N,1-dimethyl-5-nitro-pyridin-1-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: N,1-dimethyl-5-nitro-pyridin-1-ium-2-amine; trifluoromethanesulfonate CAS Name: N,1-dimethyl-5-nitro-2-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: N,1-dimethyl-5-nitropyridin-1-ium-2-amine; trifluoromethanesulfonate Traditional Name: methyl-(1-methyl-5-nitro-pyridin-1-ium-2-yl)amine triflate Formula: C8H10F3N3O5S MolecularWeight: 317.24231

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[N+](C=C(C=C1)[N+](=O)[O-])C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CNC1=[N+](C=C(C=C1)[N+](=O)[O-])C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H9N3O2.CHF3O3S/c1-8-7-4-3-6(10(11)12)5-9(7)2;2-1(3,4)8(5,6)7/h3-5H,1-2H3;(H,5,6,7)