1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium triflate Formula: C26H19F3N2O3S MolecularWeight: 496.50087

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2N=C1C#CC3=CC=CC=C3)C(C#C)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(C2=CC=CC=C2N=C1C#CC3=CC=CC=C3)C(C#C)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H19N2.CHF3O3S/c1-3-23(21-14-8-5-9-15-21)27(2)24-17-11-10-16-22(24)26-25(27)19-18-20-12-6-4-7-13-20;2-1(3,4)8(5,6)7/h1,4-17,23H,2H3;(H,5,6,7)/q+1;/p-1