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

Systemtic Name: 2,4-bis(bromanyl)-6-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dibromo-6-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C21H25Br2N3O MolecularWeight: 495.2507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Br2N3O/c1-2-3-4-5-8-11-26-19-10-7-6-9-18(19)25-21(26)24-14-15-12-16(22)13-17(23)20(15)27/h6-7,9-10,12-13H,2-5,8,11,14H2,1H3,(H2,24,25,27)