1-butyl-5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium iodide

Systemtic Name: 1-butyl-5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium iodide Openeye Name: 1-butyl-5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium iodide CAS Name: 1-butyl-5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium iodide IUPAC Name: 1-butyl-5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium iodide Traditional Name: 1-butyl-5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium iodide Formula: C14H19Cl2IN2 MolecularWeight: 413.12453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CC)C.[I-]

Isomeric SMILES

CCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CC)C.[I-]

InChI

InChI=1S/C14H19Cl2N2.HI/c1-4-6-7-18-10(3)17(5-2)13-8-11(15)12(16)9-14(13)18;/h8-9H,4-7H2,1-3H3;1H/q+1;/p-1