5-chloranyl-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium iodide

Systemtic Name: 5-chloranyl-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium iodide Openeye Name: 5-chloro-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium iodide CAS Name: 5-chloro-1-ethyl-2-methyl-3-octylbenzimidazol-1-ium iodide IUPAC Name: 5-chloro-1-ethyl-2-methyl-3-octylbenzimidazol-1-ium iodide Traditional Name: 5-chloro-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium iodide Formula: C18H28ClIN2 MolecularWeight: 434.78579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC)C.[I-]

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC)C.[I-]

InChI

InChI=1S/C18H28ClN2.HI/c1-4-6-7-8-9-10-13-21-15(3)20(5-2)17-12-11-16(19)14-18(17)21;/h11-12,14H,4-10,13H2,1-3H3;1H/q+1;/p-1