2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-pyridin-4-yl-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]-2-pyridin-4-yl-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]-2-(4-pyridyl)pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[3-[5-[(3,5-dimethyl-1-pyrazolyl)methyl]-2-pyridin-4-yl-3-pyrazolyl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-pyridin-4-ylpyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-pyridyl)pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide Formula: C25H23BrN6OS MolecularWeight: 535.45872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=NC=C5)C.[Br-]

Isomeric SMILES

CC1=CC(=NN1CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=NC=C5)C.[Br-]

InChI

InChI=1S/C25H23N6OS.BrH/c1-18-13-19(2)30(27-18)16-21-14-23(31(28-21)22-7-9-26-10-8-22)20-5-3-11-29(15-20)17-24(32)25-6-4-12-33-25;/h3-15H,16-17H2,1-2H3;1H/q+1;/p-1