1-methyl-3-[5-(3-methylbenzimidazol-3-ium-1-yl)pentyl]benzimidazol-1-ium diiodide

Systemtic Name: 1-methyl-3-[5-(3-methylbenzimidazol-3-ium-1-yl)pentyl]benzimidazol-1-ium diiodide Openeye Name: 1-methyl-3-[5-(3-methylbenzimidazol-3-ium-1-yl)pentyl]benzimidazol-1-ium diiodide CAS Name: 1-methyl-3-[5-(3-methyl-1-benzimidazol-3-iumyl)pentyl]benzimidazol-1-ium diiodide IUPAC Name: 1-methyl-3-[5-(3-methylbenzimidazol-3-ium-1-yl)pentyl]benzimidazol-1-ium diiodide Traditional Name: 1-methyl-3-[5-(3-methylbenzimidazol-3-ium-1-yl)pentyl]benzimidazol-1-ium diiodide Formula: C21H26I2N4 MolecularWeight: 588.26688

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CCCCCN3C=[N+](C4=CC=CC=C43)C.[I-].[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CCCCCN3C=[N+](C4=CC=CC=C43)C.[I-].[I-]

InChI

InChI=1S/C21H26N4.2HI/c1-22-16-24(20-12-6-4-10-18(20)22)14-8-3-9-15-25-17-23(2)19-11-5-7-13-21(19)25;;/h4-7,10-13,16-17H,3,8-9,14-15H2,1-2H3;2*1H/q+2;;/p-2