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

Systemtic Name: 2,4-bis(bromanyl)-6-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dibromo-6-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C20H23Br2N3O MolecularWeight: 481.22412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23Br2N3O/c1-2-3-4-7-10-25-18-9-6-5-8-17(18)24-20(25)23-13-14-11-15(21)12-16(22)19(14)26/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H2,23,24,26)