nickel(2+); [C-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]carbonimidoyl]oxidanium

Systemtic Name: nickel(2+); [C-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]carbonimidoyl]oxidanium Openeye Name: nickelous [C-(4-pyridyl)-N-[[3-(trifluoromethyl)phenyl]methyleneamino]carbonimidoyl]oxonium CAS Name: nickel(2+); [pyridin-4-yl-[[3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]methyl]oxonium IUPAC Name: nickel(2+); [C-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]carbonimidoyl]oxidanium Traditional Name: nickelous [C-(4-pyridyl)-N-[[3-(trifluoromethyl)benzylidene]amino]carbonimidoyl]oxonium Formula: C28H22F6N6NiO2+4 MolecularWeight: 647.197099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C=NN=C(C2=CC=NC=C2)[OH2+].C1=CC(=CC(=C1)C(F)(F)F)C=NN=C(C2=CC=NC=C2)[OH2+].[Ni+2]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C=NN=C(C2=CC=NC=C2)[OH2+].C1=CC(=CC(=C1)C(F)(F)F)C=NN=C(C2=CC=NC=C2)[OH2+].[Ni+2]

InChI

InChI=1S/2C14H10F3N3O.Ni/c2*15-14(16,17)12-3-1-2-10(8-12)9-19-20-13(21)11-4-6-18-7-5-11;/h2*1-9H,(H,20,21);/q;;+2/p+2