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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C(C=NN2C3=C(C=C(C=N3)C(F)(F)F)Cl)C#N.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C(C=NN2C3=C(C=C(C=N3)C(F)(F)F)Cl)C#N.[Br-]

InChI

InChI=1S/C16H10ClF3N5.BrH/c17-13-6-12(16(18,19)20)9-22-15(13)25-14(11(7-21)8-23-25)10-24-4-2-1-3-5-24;/h1-6,8-9H,10H2;1H/q+1;/p-1