oxidanium; nickel(2+); 1,10-phenanthroline; pyridin-4-ylcarbonyl-[(Z)-thiophen-3-ylmethylideneamino]azanide; ethanoate

Systemtic Name: oxidanium; nickel(2+); 1,10-phenanthroline; pyridin-4-ylcarbonyl-[(Z)-thiophen-3-ylmethylideneamino]azanide; ethanoate Openeye Name: nickelous; oxonium; 1,10-phenanthroline; pyridine-4-carbonyl-[(Z)-3-thienylmethyleneamino]azanide; acetate CAS Name: oxonium; nickel(2+); [oxo(pyridin-4-yl)methyl]-[(Z)-3-thiophenylmethylideneamino]azanide; 1,10-phenanthroline; acetate IUPAC Name: oxidanium; nickel(2+); 1,10-phenanthroline; pyridine-4-carbonyl-[(Z)-thiophen-3-ylmethylideneamino]azanide; acetate Traditional Name: nickelous; oxonium; isonicotinoyl-[(Z)-3-thenylideneamino]azanide; 1,10-phenanthroline; acetate Formula: C25H22N5NiO4S+ MolecularWeight: 547.23168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CN=CC=C1C(=O)[N-]N=CC2=CSC=C2.[OH3+].[Ni+2]

Isomeric SMILES

CC(=O)[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CN=CC=C1C(=O)[N-]/N=C\C2=CSC=C2.[OH3+].[Ni+2]

InChI

InChI=1S/C12H8N2.C11H9N3OS.C2H4O2.Ni.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;15-11(10-1-4-12-5-2-10)14-13-7-9-3-6-16-8-9;1-2(3)4;;/h1-8H;1-8H,(H,14,15);1H3,(H,3,4);;1H2/q;;;+2;/p-1/b;13-7-;;;