1,3-dimethylperimidin-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,3-dimethylperimidin-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,3-dimethylperimidin-3-ium; trifluoromethanesulfonate CAS Name: 1,3-dimethylperimidin-3-ium; trifluoromethanesulfonate IUPAC Name: 1,3-dimethylperimidin-3-ium; trifluoromethanesulfonate Traditional Name: 1,3-dimethylperimidin-3-ium triflate Formula: C14H13F3N2O3S MolecularWeight: 346.32483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=CC=CC3=C2C1=CC=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C=[N+](C2=CC=CC3=C2C1=CC=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13N2.CHF3O3S/c1-14-9-15(2)12-8-4-6-10-5-3-7-11(14)13(10)12;2-1(3,4)8(5,6)7/h3-9H,1-2H3;(H,5,6,7)/q+1;/p-1