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

Systemtic Name: 4-chloranyl-2-[1-[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Openeye Name: 4-chloro-2-[1-[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate CAS Name: 4-chloro-2-[1-[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate IUPAC Name: 4-chloro-2-[1-[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Traditional Name: 4-chloro-2-[1-[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Formula: C21H26ClN3O MolecularWeight: 371.90364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O/c1-3-4-5-8-13-25-19-10-7-6-9-18(19)24-21(25)23-15(2)17-14-16(22)11-12-20(17)26/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H2,23,24,26)