2-(3-heptylimidazol-3-ium-1-yl)-6-pyrazol-1-yl-pyridine iodide

Systemtic Name: 2-(3-heptylimidazol-3-ium-1-yl)-6-pyrazol-1-yl-pyridine iodide Openeye Name: 2-(3-heptylimidazol-3-ium-1-yl)-6-pyrazol-1-yl-pyridine iodide CAS Name: 2-(3-heptyl-1-imidazol-3-iumyl)-6-(1-pyrazolyl)pyridine iodide IUPAC Name: 2-(3-heptylimidazol-3-ium-1-yl)-6-pyrazol-1-ylpyridine iodide Traditional Name: 2-(3-heptylimidazol-3-ium-1-yl)-6-pyrazol-1-yl-pyridine iodide Formula: C18H24IN5 MolecularWeight: 437.32113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N5.HI/c1-2-3-4-5-6-12-21-14-15-22(16-21)17-9-7-10-18(20-17)23-13-8-11-19-23;/h7-11,13-16H,2-6,12H2,1H3;1H/q+1;/p-1