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

Systemtic Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-chloranyl-phenolate Openeye Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-chloro-phenolate CAS Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-chlorophenolate IUPAC Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-chlorophenolate Traditional Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-chloro-phenolate Formula: C18H20ClN3O MolecularWeight: 329.8239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O/c1-2-3-10-22-16-7-5-4-6-15(16)21-18(22)20-12-13-11-14(19)8-9-17(13)23/h4-9,11H,2-3,10,12H2,1H3,(H2,20,21,23)