2-tert-butyl-1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride

Systemtic Name: 2-tert-butyl-1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride Openeye Name: 2-tert-butyl-1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride CAS Name: 2-tert-butyl-1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride IUPAC Name: 2-tert-butyl-1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride Traditional Name: 2-tert-butyl-1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC[NH+]2C3=CC=CC=C3N=C2C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC[NH+]2C3=CC=CC=C3N=C2C(C)(C)C.[Cl-]

InChI

InChI=1S/C21H26N2O.ClH/c1-15-10-11-16(2)19(14-15)24-13-12-23-18-9-7-6-8-17(18)22-20(23)21(3,4)5;/h6-11,14H,12-13H2,1-5H3;1H