N-(2-methyl-3-octyl-1-phenyl-benzimidazol-3-ium-5-yl)ethanamide iodide

Systemtic Name: N-(2-methyl-3-octyl-1-phenyl-benzimidazol-3-ium-5-yl)ethanamide iodide Openeye Name: N-(2-methyl-3-octyl-1-phenyl-benzimidazol-3-ium-5-yl)acetamide iodide CAS Name: N-(2-methyl-3-octyl-1-phenyl-5-benzimidazol-3-iumyl)acetamide iodide IUPAC Name: N-(2-methyl-3-octyl-1-phenylbenzimidazol-3-ium-5-yl)acetamide iodide Traditional Name: N-(2-methyl-3-octyl-1-phenyl-benzimidazol-3-ium-5-yl)acetamide iodide Formula: C24H32IN3O MolecularWeight: 505.43485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(N(C2=C1C=C(C=C2)NC(=O)C)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=C(N(C2=C1C=C(C=C2)NC(=O)C)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C24H31N3O.HI/c1-4-5-6-7-8-12-17-26-20(3)27(22-13-10-9-11-14-22)23-16-15-21(18-24(23)26)25-19(2)28;/h9-11,13-16,18H,4-8,12,17H2,1-3H3;1H