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

Systemtic Name: 1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; iron(2+); diiodide Openeye Name: ferrous 1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium diiodide CAS Name: 1-(cyclopentylmethyl)-3-methylbenzimidazol-3-ium; iron(2+); diiodide IUPAC Name: 1-(cyclopentylmethyl)-3-methylbenzimidazol-3-ium; iron(2+); diiodide Traditional Name: ferrous 1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium diiodide Formula: C28H28FeI2N4+2 MolecularWeight: 730.20266

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.C[N+]1=CN(C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.[Fe+2].[I-].[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.C[N+]1=CN(C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3.[Fe+2].[I-].[I-]

InChI

InChI=1S/2C14H14N2.Fe.2HI/c2*1-15-11-16(10-12-6-2-3-7-12)14-9-5-4-8-13(14)15;;;/h2*2-9,11H,10H2,1H3;;2*1H/q2*+1;+2;;/p-2