cyclopentane; 1-cyclopentyl-3-methyl-benzimidazol-3-ium; iron(2+); tetrafluoroborate

Systemtic Name: cyclopentane; 1-cyclopentyl-3-methyl-benzimidazol-3-ium; iron(2+); tetrafluoroborate Openeye Name: ferrous; cyclopentane; 1-cyclopentyl-3-methyl-benzimidazol-3-ium; tetrafluoroborate CAS Name: cyclopentane; 1-cyclopentyl-3-methylbenzimidazol-3-ium; iron(2+); tetrafluoroborate IUPAC Name: cyclopentane; 1-cyclopentyl-3-methylbenzimidazol-3-ium; iron(2+); tetrafluoroborate Traditional Name: ferrous; cyclopentane; 1-cyclopentyl-3-methyl-benzimidazol-3-ium; tetrafluoroborate Formula: C18H17BF4FeN2+2 MolecularWeight: 403.990593

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CN(C2=CC=CC=C21)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CN(C2=CC=CC=C21)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C13H12N2.C5H5.BF4.Fe/c1-14-10-15(11-6-2-3-7-11)13-9-5-4-8-12(13)14;1-2-4-5-3-1;2-1(3,4)5;/h2-10H,1H3;1-5H;;/q+1;;-1;+2