ethanenitrile; iron(3+); N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine; triperchlorate

Systemtic Name: ethanenitrile; iron(3+); N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine; triperchlorate Openeye Name: ferric; acetonitrile; N-[(1-methylimidazol-2-yl)methyl]-1-(2-pyridyl)-N-(2-pyridylmethyl)methanamine; triperchlorate CAS Name: acetonitrile; iron(3+); N-[(1-methyl-2-imidazolyl)methyl]-1-(2-pyridinyl)-N-(2-pyridinylmethyl)methanamine; triperchlorate IUPAC Name: acetonitrile; iron(3+); N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine; triperchlorate Traditional Name: ferric; acetonitrile; (1-methylimidazol-2-yl)methyl-bis(2-pyridylmethyl)amine; triperchlorate Formula: C21H25Cl3FeN7O12 MolecularWeight: 729.6669

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CN1C=CN=C1CN(CC2=CC=CC=N2)CC3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

CC#N.CC#N.CN1C=CN=C1CN(CC2=CC=CC=N2)CC3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/C17H19N5.2C2H3N.3ClHO4.Fe/c1-21-11-10-20-17(21)14-22(12-15-6-2-4-8-18-15)13-16-7-3-5-9-19-16;2*1-2-3;3*2-1(3,4)5;/h2-11H,12-14H2,1H3;2*1H3;3*(H,2,3,4,5);/q;;;;;;+3/p-3