[3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-yl] ethyl carbonate

Systemtic Name: [3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-yl] ethyl carbonate Openeye Name: [3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-yl] ethyl carbonate CAS Name: carbonic acid [3-(2,5-dimethyl-1-pyrrolyl)-3,5-dimethyl-2-(2-phenylethynyl)-4-imidazol-3-iumyl] ethyl ester IUPAC Name: [3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-yl] ethyl carbonate Traditional Name: carbonic acid [3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-yl] ethyl ester Formula: C22H24N3O3+ MolecularWeight: 378.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(N=C([N+]1(C)N2C(=CC=C2C)C)C#CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)OC1=C(N=C([N+]1(C)N2C(=CC=C2C)C)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N3O3/c1-6-27-22(26)28-21-18(4)23-20(15-14-19-10-8-7-9-11-19)25(21,5)24-16(2)12-13-17(24)3/h7-13H,6H2,1-5H3/q+1