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

Systemtic Name: 4-bromanyl-2-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-bromo-2-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-bromo-2-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-bromo-2-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 4-bromo-2-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C22H28BrN3O MolecularWeight: 430.38122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O/c1-2-3-4-5-6-9-14-26-20-11-8-7-10-19(20)25-22(26)24-16-17-15-18(23)12-13-21(17)27/h7-8,10-13,15H,2-6,9,14,16H2,1H3,(H2,24,25,27)