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

Systemtic Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium Openeye Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium CAS Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium IUPAC Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium Traditional Name: 1-methyl-2-(2-phenylethynyl)-1-(1-phenylprop-2-ynyl)benzimidazol-1-ium Formula: C25H19N2+ MolecularWeight: 347.43176

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N2/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/h1,4-17,23H,2H3/q+1