2,4-bis(bromanyl)-6-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dibromo-6-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C22H27Br2N3O MolecularWeight: 509.27728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Br2N3O/c1-2-3-4-5-6-9-12-27-20-11-8-7-10-19(20)26-22(27)25-15-16-13-17(23)14-18(24)21(16)28/h7-8,10-11,13-14H,2-6,9,12,15H2,1H3,(H2,25,26,28)