3-butyl-2-phenyl-1H-imidazol-3-ium iodide

Systemtic Name: 3-butyl-2-phenyl-1H-imidazol-3-ium iodide Openeye Name: 3-butyl-2-phenyl-1H-imidazol-3-ium iodide CAS Name: 3-butyl-2-phenyl-1H-imidazol-3-ium iodide IUPAC Name: 3-butyl-2-phenyl-1H-imidazol-3-ium iodide Traditional Name: 3-butyl-2-phenyl-1H-imidazol-3-ium iodide Formula: C13H17IN2 MolecularWeight: 328.19195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(NC=C1)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCCC[N+]1=C(NC=C1)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C13H16N2.HI/c1-2-3-10-15-11-9-14-13(15)12-7-5-4-6-8-12;/h4-9,11H,2-3,10H2,1H3;1H