2-[(3-methoxyphenyl)-phenylmethoxy-methyl]-1,3-dimethyl-benzimidazol-3-ium iodide

Systemtic Name: 2-[(3-methoxyphenyl)-phenylmethoxy-methyl]-1,3-dimethyl-benzimidazol-3-ium iodide Openeye Name: 2-[benzyloxy-(3-methoxyphenyl)methyl]-1,3-dimethyl-benzimidazol-3-ium iodide CAS Name: 2-[(3-methoxyphenyl)-phenylmethoxymethyl]-1,3-dimethylbenzimidazol-3-ium iodide IUPAC Name: 2-[(3-methoxyphenyl)-phenylmethoxymethyl]-1,3-dimethylbenzimidazol-3-ium iodide Traditional Name: 2-[benzoxy-(3-methoxyphenyl)methyl]-1,3-dimethyl-benzimidazol-3-ium iodide Formula: C24H25IN2O2 MolecularWeight: 500.37197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C(C3=CC(=CC=C3)OC)OCC4=CC=CC=C4)C.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C(C3=CC(=CC=C3)OC)OCC4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C24H25N2O2.HI/c1-25-21-14-7-8-15-22(21)26(2)24(25)23(19-12-9-13-20(16-19)27-3)28-17-18-10-5-4-6-11-18;/h4-16,23H,17H2,1-3H3;1H/q+1;/p-1