2-[2-azanyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol

Systemtic Name: 2-[2-azanyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol Openeye Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol CAS Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]-1-benzimidazol-1-iumyl]ethanol IUPAC Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol Traditional Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CCO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CCO

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)16-8-10-17(11-9-16)26-15-13-24-19-7-5-4-6-18(19)23(12-14-25)20(24)22/h4-11,22,25H,12-15H2,1-3H3/p+1