1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-2-yl]benzimidazole; tris(chloranyl)iron

Systemtic Name: 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-2-yl]benzimidazole; tris(chloranyl)iron Openeye Name: 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-2-yl]benzimidazole; trichloroiron CAS Name: 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-2-yl]benzimidazole; trichloroiron IUPAC Name: 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-2-yl]benzimidazole; trichloroiron Traditional Name: 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-2-yl]benzimidazole; trichloroiron Formula: C21H24Cl3FeN5- MolecularWeight: 508.65276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCCC2N=C1C3=CC=CC([N-]3)C4=NC5=CC=CC=C5N4C.Cl[Fe](Cl)Cl

Isomeric SMILES

CN1C2CCCCC2N=C1C3=CC=CC([N-]3)C4=NC5=CC=CC=C5N4C.Cl[Fe](Cl)Cl

InChI

InChI=1S/C21H24N5.3ClH.Fe/c1-25-18-12-5-3-8-14(18)23-20(25)16-10-7-11-17(22-16)21-24-15-9-4-6-13-19(15)26(21)2;;;;/h3,5,7-8,10-12,15-16,19H,4,6,9,13H2,1-2H3;3*1H;/q-1;;;;+3/p-3