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

Systemtic Name: 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine iodide Openeye Name: 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine iodide CAS Name: 1-methyl-3-[2-(4-methylphenoxy)ethyl]-2-benzimidazol-1-iumamine iodide IUPAC Name: 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-amine iodide Traditional Name: [1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-2-yl]amine iodide Formula: C17H20IN3O MolecularWeight: 409.26467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)C.[I-]

InChI

InChI=1S/C17H19N3O.HI/c1-13-7-9-14(10-8-13)21-12-11-20-16-6-4-3-5-15(16)19(2)17(20)18;/h3-10,18H,11-12H2,1-2H3;1H