2-(3-butylimidazol-3-ium-1-yl)-1-methyl-4-nitro-benzimidazole iodide

Systemtic Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methyl-4-nitro-benzimidazole iodide Openeye Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methyl-4-nitro-benzimidazole iodide CAS Name: 2-(3-butyl-1-imidazol-3-iumyl)-1-methyl-4-nitrobenzimidazole iodide IUPAC Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methyl-4-nitrobenzimidazole iodide Traditional Name: 2-(3-butylimidazol-3-ium-1-yl)-1-methyl-4-nitro-benzimidazole iodide Formula: C15H18IN5O2 MolecularWeight: 427.24019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C=C1)C2=NC3=C(N2C)C=CC=C3[N+](=O)[O-].[I-]

Isomeric SMILES

CCCC[N+]1=CN(C=C1)C2=NC3=C(N2C)C=CC=C3[N+](=O)[O-].[I-]

InChI

InChI=1S/C15H18N5O2.HI/c1-3-4-8-18-9-10-19(11-18)15-16-14-12(17(15)2)6-5-7-13(14)20(21)22;/h5-7,9-11H,3-4,8H2,1-2H3;1H/q+1;/p-1