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

Systemtic Name: 2-(2-bromophenyl)-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iron(2+); iodide Openeye Name: ferrous; 2-(2-bromophenyl)-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iodide CAS Name: 2-(2-bromophenyl)-1-(cyclopentylmethyl)-3-methylbenzimidazol-3-ium; cyclopentane; iron(2+); iodide IUPAC Name: 2-(2-bromophenyl)-1-(cyclopentylmethyl)-3-methylbenzimidazol-3-ium; cyclopentane; iron(2+); iodide Traditional Name: ferrous; 2-(2-bromophenyl)-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iodide Formula: C25H22BrFeIN2+2 MolecularWeight: 613.10905

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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=CC=C4Br.[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=CC=C4Br.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C20H17BrN2.C5H5.Fe.HI/c1-22-18-12-6-7-13-19(18)23(14-15-8-2-3-9-15)20(22)16-10-4-5-11-17(16)21;1-2-4-5-3-1;;/h2-13H,14H2,1H3;1-5H;;1H/q+1;;+2;/p-1