1-methyl-4,5-diphenyl-2-(2-phenylethynyl)-3-prop-2-ynyl-imidazol-1-ium

Systemtic Name: 1-methyl-4,5-diphenyl-2-(2-phenylethynyl)-3-prop-2-ynyl-imidazol-1-ium Openeye Name: 1-methyl-4,5-diphenyl-2-(2-phenylethynyl)-3-prop-2-ynyl-imidazol-1-ium CAS Name: 1-methyl-4,5-diphenyl-2-(2-phenylethynyl)-3-prop-2-ynylimidazol-1-ium IUPAC Name: 1-methyl-4,5-diphenyl-2-(2-phenylethynyl)-3-prop-2-ynylimidazol-1-ium Traditional Name: 1-methyl-4,5-diphenyl-2-(2-phenylethynyl)-3-propargyl-imidazol-1-ium Formula: C27H21N2+ MolecularWeight: 373.46904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)CC#C)C#CC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(N(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)CC#C)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H21N2/c1-3-21-29-25(20-19-22-13-7-4-8-14-22)28(2)26(23-15-9-5-10-16-23)27(29)24-17-11-6-12-18-24/h1,4-18H,21H2,2H3/q+1