3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-carboxylic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-carboxylic acid Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-carboxylic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-3,5-dimethyl-2-(2-phenylethynyl)-4-imidazol-3-iumcarboxylic acid IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-carboxylic acid Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-3,5-dimethyl-2-(2-phenylethynyl)imidazol-3-ium-4-carboxylic acid Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1[N+]2(C(=NC(=C2C(=O)O)C)C#CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC=C(N1[N+]2(C(=NC(=C2C(=O)O)C)C#CC3=CC=CC=C3)C)C

InChI

InChI=1S/C20H19N3O2/c1-14-10-11-15(2)22(14)23(4)18(21-16(3)19(23)20(24)25)13-12-17-8-6-5-7-9-17/h5-11H,1-4H3/p+1