2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole iodide

Systemtic Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole iodide Openeye Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole iodide CAS Name: 2-(1-butyl-4-pyridin-1-iumyl)-4-nitro-1H-benzimidazole iodide IUPAC Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole iodide Traditional Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole iodide Formula: C16H17IN4O2 MolecularWeight: 424.23625

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-].[I-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-].[I-]

InChI

InChI=1S/C16H16N4O2.HI/c1-2-3-9-19-10-7-12(8-11-19)16-17-13-5-4-6-14(20(21)22)15(13)18-16;/h4-8,10-11H,2-3,9H2,1H3;1H