2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iron(2+); iodide

Systemtic Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iron(2+); iodide Openeye Name: ferrous; 2-[(E)-2-(4-chlorophenyl)vinyl]-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iodide CAS Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(cyclopentylmethyl)-3-methylbenzimidazol-3-ium; cyclopentane; iron(2+); iodide IUPAC Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-(cyclopentylmethyl)-3-methylbenzimidazol-3-ium; cyclopentane; iron(2+); iodide Traditional Name: ferrous; 2-[(E)-2-(4-chlorophenyl)vinyl]-1-(cyclopentylmethyl)-3-methyl-benzimidazol-3-ium; cyclopentane; iodide Formula: C27H24ClFeIN2+2 MolecularWeight: 594.69533

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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)C=CC4=CC=C(C=C4)Cl.[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)/C=C/C4=CC=C(C=C4)Cl.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C22H19ClN2.C5H5.Fe.HI/c1-24-20-8-4-5-9-21(20)25(16-18-6-2-3-7-18)22(24)15-12-17-10-13-19(23)14-11-17;1-2-4-5-3-1;;/h2-15H,16H2,1H3;1-5H;;1H/q+1;;+2;/p-1/b15-12+;;;