2-[2,6-bis(fluoranyl)phenyl]-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iron(2+); iodide

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iron(2+); iodide Openeye Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-2-(2,6-difluorophenyl)-3-methyl-benzimidazol-3-ium; iodide CAS Name: cyclopentane; 1-(cyclopentylmethyl)-2-(2,6-difluorophenyl)-3-methylbenzimidazol-3-ium; iron(2+); iodide IUPAC Name: cyclopentane; 1-(cyclopentylmethyl)-2-(2,6-difluorophenyl)-3-methylbenzimidazol-3-ium; iron(2+); iodide Traditional Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-2-(2,6-difluorophenyl)-3-methyl-benzimidazol-3-ium; iodide Formula: C25H21F2FeIN2+2 MolecularWeight: 570.193916

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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=C(C=CC=C4F)F.[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=C(C=CC=C4F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C20H16F2N2.C5H5.Fe.HI/c1-23-17-11-4-5-12-18(17)24(13-14-7-2-3-8-14)20(23)19-15(21)9-6-10-16(19)22;1-2-4-5-3-1;;/h2-12H,13H2,1H3;1-5H;;1H/q+1;;+2;/p-1