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

Systemtic Name: cyclopentane; 1-(cyclopentylmethyl)-2-(4-methoxyphenyl)-3-methyl-benzimidazol-3-ium; iron(2+); iodide Openeye Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-2-(4-methoxyphenyl)-3-methyl-benzimidazol-3-ium; iodide CAS Name: cyclopentane; 1-(cyclopentylmethyl)-2-(4-methoxyphenyl)-3-methylbenzimidazol-3-ium; iron(2+); iodide IUPAC Name: cyclopentane; 1-(cyclopentylmethyl)-2-(4-methoxyphenyl)-3-methylbenzimidazol-3-ium; iron(2+); iodide Traditional Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-2-(4-methoxyphenyl)-3-methyl-benzimidazol-3-ium; iodide Formula: C26H25FeIN2O+2 MolecularWeight: 564.23897

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3)C4=CC=C(C=C4)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)C[C]3[CH][CH][CH][CH]3)C4=CC=C(C=C4)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C21H20N2O.C5H5.Fe.HI/c1-22-19-9-5-6-10-20(19)23(15-16-7-3-4-8-16)21(22)17-11-13-18(24-2)14-12-17;1-2-4-5-3-1;;/h3-14H,15H2,1-2H3;1-5H;;1H/q+1;;+2;/p-1