5-[pyridin-1-ium-1-yl-[2,4,6-tris(chloranyl)phenyl]methyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[pyridin-1-ium-1-yl-[2,4,6-tris(chloranyl)phenyl]methyl]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[pyridin-1-ium-1-yl-(2,4,6-trichlorophenyl)methyl]-1H-pyrazole-4-carbonitrile CAS Name: 5-[1-pyridin-1-iumyl-(2,4,6-trichlorophenyl)methyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[pyridin-1-ium-1-yl-(2,4,6-trichlorophenyl)methyl]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[pyridin-1-ium-1-yl-(2,4,6-trichlorophenyl)methyl]-1H-pyrazole-4-carbonitrile Formula: C16H10Cl3N4+ MolecularWeight: 364.6364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C2=C(C=C(C=C2Cl)Cl)Cl)C3=C(C=NN3)C#N

Isomeric SMILES

C1=CC=[N+](C=C1)C(C2=C(C=C(C=C2Cl)Cl)Cl)C3=C(C=NN3)C#N

InChI

InChI=1S/C16H10Cl3N4/c17-11-6-12(18)14(13(19)7-11)16(23-4-2-1-3-5-23)15-10(8-20)9-21-22-15/h1-7,9,16H,(H,21,22)/q+1