N-(2,6-diethylphenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide iodide

Systemtic Name: N-(2,6-diethylphenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide iodide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-diethylphenyl)acetamide iodide CAS Name: N-(2,6-diethylphenyl)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetamide iodide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-diethylphenyl)acetamide iodide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-diethylphenyl)acetamide iodide Formula: C26H28IN3O MolecularWeight: 525.42449

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C26H27N3O.HI/c1-3-21-13-10-14-22(4-2)26(21)27-25(30)18-29-19-28(17-20-11-6-5-7-12-20)23-15-8-9-16-24(23)29;/h5-16,19H,3-4,17-18H2,1-2H3;1H