1-[2-(4-bromanylphenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine iodide

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine iodide Openeye Name: 1-[2-(4-bromophenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine iodide CAS Name: 1-[2-(4-bromophenoxy)ethyl]-3-methyl-2-benzimidazol-3-iumamine iodide IUPAC Name: 1-[2-(4-bromophenoxy)ethyl]-3-methylbenzimidazol-3-ium-2-amine iodide Traditional Name: [1-[2-(4-bromophenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-yl]amine iodide Formula: C16H17BrIN3O MolecularWeight: 474.13415

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)N.[I-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)N.[I-]

InChI

InChI=1S/C16H16BrN3O.HI/c1-19-14-4-2-3-5-15(14)20(16(19)18)10-11-21-13-8-6-12(17)7-9-13;/h2-9,18H,10-11H2,1H3;1H