4-bromanyl-2-[[(3-decyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate

Systemtic Name: 4-bromanyl-2-[[(3-decyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-bromo-2-[[(3-decyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-bromo-2-[[(3-decyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-bromo-2-[[(3-decyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 4-bromo-2-[[(3-decyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C24H32BrN3O MolecularWeight: 458.43438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32BrN3O/c1-2-3-4-5-6-7-8-11-16-28-22-13-10-9-12-21(22)27-24(28)26-18-19-17-20(25)14-15-23(19)29/h9-10,12-15,17H,2-8,11,16,18H2,1H3,(H2,26,27,29)