2-(3-butylimidazol-3-ium-1-yl)-1-methyl-benzimidazole hydroiodide

Systemtic Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methyl-benzimidazole hydroiodide Openeye Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methyl-benzimidazole hydroiodide CAS Name: 2-(3-butyl-1-imidazol-3-iumyl)-1-methylbenzimidazole hydroiodide IUPAC Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methylbenzimidazole hydroiodide Traditional Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methyl-benzimidazole hydroiodide Formula: C15H20IN4+ MolecularWeight: 383.25057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N2C.I

Isomeric SMILES

CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N2C.I

InChI

InChI=1S/C15H19N4.HI/c1-3-4-9-18-10-11-19(12-18)15-16-13-7-5-6-8-14(13)17(15)2;/h5-8,10-12H,3-4,9H2,1-2H3;1H/q+1;