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

Systemtic Name: 4-bromanyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-bromo-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-bromo-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-bromo-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2-[[(3-amyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-bromo-phenolate Formula: C19H22BrN3O MolecularWeight: 388.30148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O/c1-2-3-6-11-23-17-8-5-4-7-16(17)22-19(23)21-13-14-12-15(20)9-10-18(14)24/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H2,21,22,24)