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

Systemtic Name: cyclopentane; 1-(cyclopentylmethyl)-3-(4-iodanylbutyl)benzimidazol-1-ium; iron(2+); iodide Openeye Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium; iodide CAS Name: cyclopentane; 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium; iron(2+); iodide IUPAC Name: cyclopentane; 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium; iron(2+); iodide Traditional Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-(4-iodobutyl)benzimidazol-1-ium; iodide Formula: C22H24FeI2N2+2 MolecularWeight: 626.0933

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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.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C=[N+]2C[C]3[CH][CH][CH][CH]3)CCCCI.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C17H19IN2.C5H5.Fe.HI/c18-11-5-6-12-19-14-20(13-15-7-1-2-8-15)17-10-4-3-9-16(17)19;1-2-4-5-3-1;;/h1-4,7-10,14H,5-6,11-13H2;1-5H;;1H/q+1;;+2;/p-1