5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-pyridin-1-ium-1-yl-methyl]-1H-pyrazole-4-carbonitrile bromide

Systemtic Name: 5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-pyridin-1-ium-1-yl-methyl]-1H-pyrazole-4-carbonitrile bromide Openeye Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-pyridin-1-ium-1-yl-methyl]-1H-pyrazole-4-carbonitrile bromide CAS Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(1-pyridin-1-iumyl)methyl]-1H-pyrazole-4-carbonitrile bromide IUPAC Name: 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-1-ium-1-ylmethyl]-1H-pyrazole-4-carbonitrile bromide Traditional Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-pyridin-1-ium-1-yl-methyl]-1H-pyrazole-4-carbonitrile bromide Formula: C16H10BrClF3N5 MolecularWeight: 444.63631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C2=C(C=NN2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)C(C2=C(C=NN2)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl.[Br-]

InChI

InChI=1S/C16H10ClF3N5.BrH/c17-12-6-11(16(18,19)20)9-22-14(12)15(25-4-2-1-3-5-25)13-10(7-21)8-23-24-13;/h1-6,8-9,15H,(H,23,24);1H/q+1;/p-1