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

Systemtic Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-(4-methylphenyl)benzimidazol-3-ium; iron(2+); iodide Openeye Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-(p-tolyl)benzimidazol-3-ium; iodide CAS Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-(4-methylphenyl)benzimidazol-3-ium; iron(2+); iodide IUPAC Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-(4-methylphenyl)benzimidazol-3-ium; iron(2+); iodide Traditional Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-(p-tolyl)benzimidazol-3-ium; iodide Formula: C26H25FeIN2+2 MolecularWeight: 548.23957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2C[C]4[CH][CH][CH][CH]4)C.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2C[C]4[CH][CH][CH][CH]4)C.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C21H20N2.C5H5.Fe.HI/c1-16-11-13-18(14-12-16)21-22(2)19-9-5-6-10-20(19)23(21)15-17-7-3-4-8-17;1-2-4-5-3-1;;/h3-14H,15H2,1-2H3;1-5H;;1H/q+1;;+2;/p-1