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

Systemtic Name: 2-tert-butyl-1-[2-(2-chloranylphenoxy)ethyl]-1H-benzimidazol-1-ium chloride Openeye Name: 2-tert-butyl-1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-1-ium chloride CAS Name: 2-tert-butyl-1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-1-ium chloride IUPAC Name: 2-tert-butyl-1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-1-ium chloride Traditional Name: 2-tert-butyl-1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-1-ium chloride Formula: C19H22Cl2N2O MolecularWeight: 365.29678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2[NH+]1CCOC3=CC=CC=C3Cl.[Cl-]

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2[NH+]1CCOC3=CC=CC=C3Cl.[Cl-]

InChI

InChI=1S/C19H21ClN2O.ClH/c1-19(2,3)18-21-15-9-5-6-10-16(15)22(18)12-13-23-17-11-7-4-8-14(17)20;/h4-11H,12-13H2,1-3H3;1H