1-butyl-3-(cyclopentylmethyl)benzimidazol-3-ium; iron(2+); diiodide

Systemtic Name: 1-butyl-3-(cyclopentylmethyl)benzimidazol-3-ium; iron(2+); diiodide Openeye Name: ferrous 1-butyl-3-(cyclopentylmethyl)benzimidazol-3-ium diiodide CAS Name: 1-butyl-3-(cyclopentylmethyl)benzimidazol-3-ium; iron(2+); diiodide IUPAC Name: 1-butyl-3-(cyclopentylmethyl)benzimidazol-3-ium; iron(2+); diiodide Traditional Name: ferrous 1-butyl-3-(cyclopentylmethyl)benzimidazol-3-ium diiodide Formula: C34H40FeI2N4+2 MolecularWeight: 814.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.CCCCN1C=[N+](C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.[Fe+2].[I-].[I-]

Isomeric SMILES

CCCCN1C=[N+](C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.CCCCN1C=[N+](C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.[Fe+2].[I-].[I-]

InChI

InChI=1S/2C17H20N2.Fe.2HI/c2*1-2-3-12-18-14-19(13-15-8-4-5-9-15)17-11-7-6-10-16(17)18;;;/h2*4-11,14H,2-3,12-13H2,1H3;;2*1H/q2*+1;+2;;/p-2