7-(3,4-dihydro-2H-pyrrol-5-yl)-2-(3-nitrophenyl)-5-phenyl-imidazo[1,2-b]pyrazol-4-ium-6-one hydrobromide

Systemtic Name: 7-(3,4-dihydro-2H-pyrrol-5-yl)-2-(3-nitrophenyl)-5-phenyl-imidazo[1,2-b]pyrazol-4-ium-6-one hydrobromide Openeye Name: 7-(3,4-dihydro-2H-pyrrol-5-yl)-2-(3-nitrophenyl)-5-phenyl-imidazo[1,2-b]pyrazol-4-ium-6-one hydrobromide CAS Name: 7-(3,4-dihydro-2H-pyrrol-5-yl)-2-(3-nitrophenyl)-5-phenyl-6-imidazo[1,2-b]pyrazol-4-iumone hydrobromide IUPAC Name: 7-(3,4-dihydro-2H-pyrrol-5-yl)-2-(3-nitrophenyl)-5-phenylimidazo[1,2-b]pyrazol-4-ium-6-one hydrobromide Traditional Name: 2-(3-nitrophenyl)-5-phenyl-7-(1-pyrrolin-2-yl)imidazo[1,2-b]pyrazol-4-ium-6-one hydrobromide Formula: C21H17BrN5O3+ MolecularWeight: 467.29538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)C2=C3N=C(C=[N+]3N(C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-].Br

Isomeric SMILES

C1CC(=NC1)C2=C3N=C(C=[N+]3N(C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-].Br

InChI

InChI=1S/C21H16N5O3.BrH/c27-21-19(17-10-5-11-22-17)20-23-18(14-6-4-9-16(12-14)26(28)29)13-24(20)25(21)15-7-2-1-3-8-15;/h1-4,6-9,12-13H,5,10-11H2;1H/q+1;