1-ethyl-3-[3-(3-ethylbenzimidazol-1-ium-1-yl)propyl]benzimidazol-3-ium diiodide

Systemtic Name: 1-ethyl-3-[3-(3-ethylbenzimidazol-1-ium-1-yl)propyl]benzimidazol-3-ium diiodide Openeye Name: 1-ethyl-3-[3-(3-ethylbenzimidazol-1-ium-1-yl)propyl]benzimidazol-3-ium diiodide CAS Name: 1-ethyl-3-[3-(3-ethyl-1-benzimidazol-1-iumyl)propyl]benzimidazol-3-ium diiodide IUPAC Name: 1-ethyl-3-[3-(3-ethylbenzimidazol-1-ium-1-yl)propyl]benzimidazol-3-ium diiodide Traditional Name: 1-ethyl-3-[3-(3-ethylbenzimidazol-1-ium-1-yl)propyl]benzimidazol-3-ium diiodide Formula: C21H26I2N4 MolecularWeight: 588.26688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=CC=CC=C21)CCC[N+]3=CN(C4=CC=CC=C43)CC.[I-].[I-]

Isomeric SMILES

CCN1C=[N+](C2=CC=CC=C21)CCC[N+]3=CN(C4=CC=CC=C43)CC.[I-].[I-]

InChI

InChI=1S/C21H26N4.2HI/c1-3-22-16-24(20-12-7-5-10-18(20)22)14-9-15-25-17-23(4-2)19-11-6-8-13-21(19)25;;/h5-8,10-13,16-17H,3-4,9,14-15H2,1-2H3;2*1H/q+2;;/p-2