2-tert-butyl-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride

Systemtic Name: 2-tert-butyl-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride Openeye Name: 2-tert-butyl-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride CAS Name: 2-tert-butyl-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride IUPAC Name: 2-tert-butyl-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride Traditional Name: 2-tert-butyl-1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride Formula: C20H25ClN2O MolecularWeight: 344.8783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O.ClH/c1-15-9-11-16(12-10-15)23-14-13-22-18-8-6-5-7-17(18)21-19(22)20(2,3)4;/h5-12H,13-14H2,1-4H3;1H