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

Systemtic Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-methyl-phenolate Openeye Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-methyl-phenolate CAS Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-methylphenolate IUPAC Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-methylphenolate Traditional Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-methyl-phenolate Formula: C19H23N3O MolecularWeight: 309.40542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O/c1-3-4-11-22-17-8-6-5-7-16(17)21-19(22)20-13-15-12-14(2)9-10-18(15)23/h5-10,12H,3-4,11,13H2,1-2H3,(H2,20,21,23)