1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate

Systemtic Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Openeye Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate CAS Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate IUPAC Name: 1-methyl-2-(2-phenylethynyl)-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Traditional Name: 1-methyl-2-(2-phenylethynyl)-3-(3-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=C(N(C2=CC=CC=C21)CC#CC3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H19N2.BF4/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)5/h2-9,11-14,16-17H,20H2,1H3;/q+1;-1