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

Systemtic Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[3-[5-[(3,5-dimethyl-1-pyrazolyl)methyl]-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N5O.BrH/c1-16-11-17(2)27(25-16)14-20-12-21(24-23-20)19-9-6-10-26(13-19)15-22(28)18-7-4-3-5-8-18;/h3-13H,14-15H2,1-2H3,(H,23,24);1H/q+1;/p-1