2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]-N-(2-propan-2-ylphenyl)ethanamide iodide

Systemtic Name: 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]-N-(2-propan-2-ylphenyl)ethanamide iodide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2-isopropylphenyl)acetamide iodide CAS Name: 2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]-N-(2-propan-2-ylphenyl)acetamide iodide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2-propan-2-ylphenyl)acetamide iodide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-o-cumenyl-acetamide iodide Formula: C25H26IN3O MolecularWeight: 511.39791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C25H25N3O.HI/c1-19(2)21-12-6-7-13-22(21)26-25(29)17-28-18-27(16-20-10-4-3-5-11-20)23-14-8-9-15-24(23)28;/h3-15,18-19H,16-17H2,1-2H3;1H