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

Systemtic Name: 4-chloranyl-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-chloro-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-chloro-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-chloro-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 4-chloro-2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O/c1-2-3-4-7-12-24-18-9-6-5-8-17(18)23-20(24)22-14-15-13-16(21)10-11-19(15)25/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H2,22,23,25)