nickel; 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; diperchlorate; dihydrate

Systemtic Name: nickel; 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; diperchlorate; dihydrate Openeye Name: nickel; 1-(2-pyridyl)-N,N-bis(2-pyridylmethyl)methanamine; diperchlorate; dihydrate CAS Name: nickel; 1-(2-pyridinyl)-N,N-bis(2-pyridinylmethyl)methanamine; diperchlorate; dihydrate IUPAC Name: nickel; 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; diperchlorate; dihydrate Traditional Name: nickel; tris(2-pyridylmethyl)amine; diperchlorate; dihydrate Formula: C36H40Cl2N8Ni2O10-2 MolecularWeight: 933.0432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni].[Ni]

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni].[Ni]

InChI

InChI=1S/2C18H18N4.2ClHO4.2Ni.2H2O/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*2-1(3,4)5;;;;/h2*1-12H,13-15H2;2*(H,2,3,4,5);;;2*1H2/p-2