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

Systemtic Name: 2,4-bis(bromanyl)-6-[[(3-propan-2-yl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[(3-isopropyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dibromo-6-[[(3-propan-2-yl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[(3-propan-2-yl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[(3-isopropyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C17H17Br2N3O MolecularWeight: 439.14438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Br2N3O/c1-10(2)22-15-6-4-3-5-14(15)21-17(22)20-9-11-7-12(18)8-13(19)16(11)23/h3-8,10H,9H2,1-2H3,(H2,20,21,23)