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

Systemtic Name: 2,4-bis(bromanyl)-6-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dibromo-6-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C18H19Br2N3O MolecularWeight: 453.17096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Br2N3O/c1-2-3-8-23-16-7-5-4-6-15(16)22-18(23)21-11-12-9-13(19)10-14(20)17(12)24/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,22,24)