1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate

Systemtic Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Openeye Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate CAS Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate IUPAC Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Traditional Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Formula: C25H19BF4N2 MolecularWeight: 434.236373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N2.BF4/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)5/h1,4-17,23H,2H3;/q+1;-1