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

Systemtic Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-phenyl-benzimidazol-3-ium; iron(2+); iodide Openeye Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-phenyl-benzimidazol-3-ium; iodide CAS Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-phenylbenzimidazol-3-ium; iron(2+); iodide IUPAC Name: cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-phenylbenzimidazol-3-ium; iron(2+); iodide Traditional Name: ferrous; cyclopentane; 1-(cyclopentylmethyl)-3-methyl-2-phenyl-benzimidazol-3-ium; iodide Formula: C25H23FeIN2+2 MolecularWeight: 534.21299

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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=C4.[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=C4.[CH]1[CH][CH][CH][CH]1.[Fe+2].[I-]

InChI

InChI=1S/C20H18N2.C5H5.Fe.HI/c1-21-18-13-7-8-14-19(18)22(15-16-9-5-6-10-16)20(21)17-11-3-2-4-12-17;1-2-4-5-3-1;;/h2-14H,15H2,1H3;1-5H;;1H/q+1;;+2;/p-1