2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[3-[5-[(3,5-dimethyl-1-pyrazolyl)methyl]-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide Formula: C20H20BrN5OS MolecularWeight: 458.3747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C.[Br-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C.[Br-]

InChI

InChI=1S/C20H20N5OS.BrH/c1-14-9-15(2)25(23-14)12-17-10-18(22-21-17)16-5-3-7-24(11-16)13-19(26)20-6-4-8-27-20;/h3-11H,12-13H2,1-2H3,(H,21,22);1H/q+1;/p-1