2-(3,5-dimethylpyrazol-1-yl)-6-(3-heptylimidazol-3-ium-1-yl)pyridine iodide

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-6-(3-heptylimidazol-3-ium-1-yl)pyridine iodide Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-6-(3-heptylimidazol-3-ium-1-yl)pyridine iodide CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-6-(3-heptyl-1-imidazol-3-iumyl)pyridine iodide IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-6-(3-heptylimidazol-3-ium-1-yl)pyridine iodide Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-6-(3-heptylimidazol-3-ium-1-yl)pyridine iodide Formula: C20H28IN5 MolecularWeight: 465.37429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)C2=NC(=CC=C2)N3C(=CC(=N3)C)C.[I-]

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)C2=NC(=CC=C2)N3C(=CC(=N3)C)C.[I-]

InChI

InChI=1S/C20H28N5.HI/c1-4-5-6-7-8-12-23-13-14-24(16-23)19-10-9-11-20(21-19)25-18(3)15-17(2)22-25;/h9-11,13-16H,4-8,12H2,1-3H3;1H/q+1;/p-1