N-(2,5-dimethoxyphenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide iodide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide iodide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,5-dimethoxyphenyl)acetamide iodide CAS Name: N-(2,5-dimethoxyphenyl)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetamide iodide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,5-dimethoxyphenyl)acetamide iodide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,5-dimethoxyphenyl)acetamide iodide Formula: C24H24IN3O3 MolecularWeight: 529.37013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C24H23N3O3.HI/c1-29-19-12-13-23(30-2)20(14-19)25-24(28)16-27-17-26(15-18-8-4-3-5-9-18)21-10-6-7-11-22(21)27;/h3-14,17H,15-16H2,1-2H3;1H