2-[3-(5-phenyl-1H-pyrazol-3-yl)quinolin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride

Systemtic Name: 2-[3-(5-phenyl-1H-pyrazol-3-yl)quinolin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride Openeye Name: 2-[3-(5-phenyl-1H-pyrazol-3-yl)quinolin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride CAS Name: 2-[3-(5-phenyl-1H-pyrazol-3-yl)-1-quinolin-1-iumyl]-1-thiophen-2-ylethanone chloride IUPAC Name: 2-[3-(5-phenyl-1H-pyrazol-3-yl)quinolin-1-ium-1-yl]-1-thiophen-2-ylethanone chloride Traditional Name: 2-[3-(5-phenyl-1H-pyrazol-3-yl)quinolin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride Formula: C24H18ClN3OS MolecularWeight: 431.93722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2)C3=CC4=CC=CC=C4[N+](=C3)CC(=O)C5=CC=CS5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2)C3=CC4=CC=CC=C4[N+](=C3)CC(=O)C5=CC=CS5.[Cl-]

InChI

InChI=1S/C24H18N3OS.ClH/c28-23(24-11-6-12-29-24)16-27-15-19(13-18-9-4-5-10-22(18)27)21-14-20(25-26-21)17-7-2-1-3-8-17;/h1-15H,16H2,(H,25,26);1H/q+1;/p-1