4-bromanyl-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol Openeye Name: 4-bromo-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol CAS Name: 4-bromo-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol IUPAC Name: 4-bromo-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol Traditional Name: 4-bromo-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenol Formula: C20H25BrN3O+ MolecularWeight: 403.336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H24BrN3O/c1-2-3-4-7-12-24-18-9-6-5-8-17(18)23-20(24)22-14-15-13-16(21)10-11-19(15)25/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H2,22,23,25)/p+1