ethanenitrile; iron(2+); 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; diperchlorate

Systemtic Name: ethanenitrile; iron(2+); 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; diperchlorate Openeye Name: ferrous; acetonitrile; 1-(2-pyridyl)-N,N-bis(2-pyridylmethyl)methanamine; diperchlorate CAS Name: acetonitrile; iron(2+); 1-(2-pyridinyl)-N,N-bis(2-pyridinylmethyl)methanamine; diperchlorate IUPAC Name: acetonitrile; iron(2+); 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; diperchlorate Traditional Name: ferrous; acetonitrile; tris(2-pyridylmethyl)amine; diperchlorate Formula: C22H24Cl2FeN6O8 MolecularWeight: 627.21236

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

CC#N.CC#N.C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/C18H18N4.2C2H3N.2ClHO4.Fe/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*1-2-3;2*2-1(3,4)5;/h1-12H,13-15H2;2*1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2