6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; tris(fluoranyl)methanesulfonate

Systemtic Name: 6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; tris(fluoranyl)methanesulfonate Openeye Name: 6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; trifluoromethanesulfonate CAS Name: 6-[4-(dimethylamino)-1-pyridin-1-iumyl]-1,3-dimethylpyrimidine-2,4-dione; trifluoromethanesulfonate IUPAC Name: 6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,3-dimethylpyrimidine-2,4-dione; trifluoromethanesulfonate Traditional Name: 6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-quinone triflate Formula: C14H17F3N4O5S MolecularWeight: 410.36879

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)[N+]2=CC=C(C=C2)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)[N+]2=CC=C(C=C2)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H17N4O2.CHF3O3S/c1-14(2)10-5-7-17(8-6-10)11-9-12(18)16(4)13(19)15(11)3;2-1(3,4)8(5,6)7/h5-9H,1-4H3;(H,5,6,7)/q+1;/p-1