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

Systemtic Name: 2,4-bis(bromanyl)-6-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dibromo-6-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C23H29Br2N3O MolecularWeight: 523.30386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29Br2N3O/c1-2-3-4-5-6-7-10-13-28-21-12-9-8-11-20(21)27-23(28)26-16-17-14-18(24)15-19(25)22(17)29/h8-9,11-12,14-15H,2-7,10,13,16H2,1H3,(H2,26,27,29)