1-[2-(2-chloranylphenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine iodide

Systemtic Name: 1-[2-(2-chloranylphenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine iodide Openeye Name: 1-[2-(2-chlorophenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine iodide CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-3-methyl-2-benzimidazol-3-iumamine iodide IUPAC Name: 1-[2-(2-chlorophenoxy)ethyl]-3-methylbenzimidazol-3-ium-2-amine iodide Traditional Name: [1-[2-(2-chlorophenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-yl]amine iodide Formula: C16H17ClIN3O MolecularWeight: 429.68315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3Cl)N.[I-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3Cl)N.[I-]

InChI

InChI=1S/C16H16ClN3O.HI/c1-19-13-7-3-4-8-14(13)20(16(19)18)10-11-21-15-9-5-2-6-12(15)17;/h2-9,18H,10-11H2,1H3;1H