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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide iodide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide iodide CAS Name: N-(3,5-dimethylphenyl)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetamide iodide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide iodide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide iodide Formula: C24H24IN3O MolecularWeight: 497.37133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4)C.[I-]

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C24H23N3O.HI/c1-18-12-19(2)14-21(13-18)25-24(28)16-27-17-26(15-20-8-4-3-5-9-20)22-10-6-7-11-23(22)27;/h3-14,17H,15-16H2,1-2H3;1H