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

Systemtic Name: 4-bromanyl-2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-bromo-2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-bromo-2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-bromo-2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 4-bromo-2-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C23H30BrN3O MolecularWeight: 444.4078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrN3O/c1-2-3-4-5-6-7-10-15-27-21-12-9-8-11-20(21)26-23(27)25-17-18-16-19(24)13-14-22(18)28/h8-9,11-14,16H,2-7,10,15,17H2,1H3,(H2,25,26,28)