azanide; cyanoiminomethylideneazanide; iron; iron(4+); 4-piperidin-4-ylpiperidin-1-ide; 4-(2H-pyridin-1-id-4-yl)pyridine; dihydrate

Systemtic Name: azanide; cyanoiminomethylideneazanide; iron; iron(4+); 4-piperidin-4-ylpiperidin-1-ide; 4-(2H-pyridin-1-id-4-yl)pyridine; dihydrate Openeye Name: azanide; cyanoiminomethyleneazanide; iron; iron(4+); 4-(4-piperidyl)piperidin-1-ide; 4-(2H-pyridin-1-id-4-yl)pyridine; dihydrate CAS Name: azanide; cyanoiminomethylideneazanide; iron; iron(4+); 4-(4-piperidinyl)piperidin-1-ide; 4-(2H-pyridin-1-id-4-yl)pyridine; dihydrate IUPAC Name: azanide; cyanoiminomethylideneazanide; iron; iron(4+); 4-piperidin-4-ylpiperidin-1-ide; 4-(2H-pyridin-1-id-4-yl)pyridine; dihydrate Traditional Name: azanide; cyanoiminomethyleneazanide; iron; iron(4+); 4-(4-piperidyl)piperidin-1-ide; 4-(2H-pyridin-1-id-4-yl)pyridine; dihydrate Formula: C28H38Fe5N19O2- MolecularWeight: 951.95242

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CC[N-]CC2.C1C=C(C=C[N-]1)C2=CC=NC=C2.C(=[N-])=NC#N.C(=[N-])=NC#N.C(=[N-])=NC#N.C(=[N-])=NC#N.[NH2-].[NH2-].[NH2-].O.O.[Fe].[Fe].[Fe].[Fe+4].[Fe+4]

Isomeric SMILES

C1CNCCC1C2CC[N-]CC2.C1C=C(C=C[N-]1)C2=CC=NC=C2.C(=[N-])=NC#N.C(=[N-])=NC#N.C(=[N-])=NC#N.C(=[N-])=NC#N.[NH2-].[NH2-].[NH2-].O.O.[Fe].[Fe].[Fe].[Fe+4].[Fe+4]

InChI

InChI=1S/C10H19N2.C10H9N2.4C2N3.5Fe.3H2N.2H2O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;4*3-1-5-2-4;;;;;;;;;;/h9-11H,1-8H2;1-7H,8H2;;;;;;;;;;5*1H2/q6*-1;;;;2*+4;3*-1;;