1-(cyclopentylmethyl)-3-(4-iodanylbutyl)benzimidazol-1-ium; iron(2+); diiodide

Systemtic Name: 1-(cyclopentylmethyl)-3-(4-iodanylbutyl)benzimidazol-1-ium; iron(2+); diiodide Openeye Name: ferrous 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium diiodide CAS Name: 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium; iron(2+); diiodide IUPAC Name: 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium; iron(2+); diiodide Traditional Name: ferrous 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium diiodide Formula: C34H38FeI4N4+2 MolecularWeight: 1066.1552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C=[N+]2C[C]3[CH][CH][CH][CH]3)CCCCI.C1=CC=C2C(=C1)N(C=[N+]2C[C]3[CH][CH][CH][CH]3)CCCCI.[Fe+2].[I-].[I-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C=[N+]2C[C]3[CH][CH][CH][CH]3)CCCCI.C1=CC=C2C(=C1)N(C=[N+]2C[C]3[CH][CH][CH][CH]3)CCCCI.[Fe+2].[I-].[I-]

InChI

InChI=1S/2C17H19IN2.Fe.2HI/c2*18-11-5-6-12-19-14-20(13-15-7-1-2-8-15)17-10-4-3-9-16(17)19;;;/h2*1-4,7-10,14H,5-6,11-13H2;;2*1H/q2*+1;+2;;/p-2