1-methyl-4-[4-(1-methylpyridin-1-ium-4-yl)buta-1,3-diynyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-4-[4-(1-methylpyridin-1-ium-4-yl)buta-1,3-diynyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-4-[4-(1-methylpyridin-1-ium-4-yl)buta-1,3-diynyl]pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-4-[4-(1-methyl-4-pyridin-1-iumyl)buta-1,3-diynyl]pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-4-[4-(1-methylpyridin-1-ium-4-yl)buta-1,3-diynyl]pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-4-[4-(1-methylpyridin-1-ium-4-yl)buta-1,3-diynyl]pyridin-1-ium ditriflate Formula: C18H14F6N2O6S2 MolecularWeight: 532.433979

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C#CC#CC2=CC=[N+](C=C2)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C#CC#CC2=CC=[N+](C=C2)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14N2.2CHF3O3S/c1-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(2)14-10-16;2*2-1(3,4)8(5,6)7/h7-14H,1-2H3;2*(H,5,6,7)/q+2;;/p-2