1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-2-(2-phenylethynyl)-3-(3-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=C(N(C2=CC=CC=C21)CC#CC3=CC=CC=C3)C#CC4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC#CC3=CC=CC=C3)C#CC4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H19N2.CHF3O3S/c1-26-23-16-8-9-17-24(23)27(20-10-15-21-11-4-2-5-12-21)25(26)19-18-22-13-6-3-7-14-22;2-1(3,4)8(5,6)7/h2-9,11-14,16-17H,20H2,1H3;(H,5,6,7)/q+1;/p-1