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

Systemtic Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-thiophen-2-yl-benzimidazol-3-ium; iron(2+); iodide Openeye Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-(2-thienyl)benzimidazol-3-ium; iodide CAS Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-thiophen-2-ylbenzimidazol-3-ium; iron(2+); iodide IUPAC Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-thiophen-2-ylbenzimidazol-3-ium; iron(2+); iodide Traditional Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-(2-thienyl)benzimidazol-3-ium; iodide Formula: C23H21FeIN2S+2 MolecularWeight: 540.24071

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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=CS4.[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=CS4.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C18H16N2S.C5H5.Fe.HI/c1-19-15-9-4-5-10-16(15)20(13-14-7-2-3-8-14)18(19)17-11-6-12-21-17;1-2-4-5-3-1;;/h2-12H,13H2,1H3;1-5H;;1H/q+1;;+2;/p-1