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

Systemtic Name: 2-[1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]-4-chloranyl-phenolate Openeye Name: 2-[1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]-4-chloro-phenolate CAS Name: 2-[1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]-4-chlorophenolate IUPAC Name: 2-[1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]-4-chlorophenolate Traditional Name: 2-[1-[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]-4-chloro-phenolate Formula: C19H22ClN3O MolecularWeight: 343.85048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O/c1-3-4-11-23-17-8-6-5-7-16(17)22-19(23)21-13(2)15-12-14(20)9-10-18(15)24/h5-10,12-13H,3-4,11H2,1-2H3,(H2,21,22,24)