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

Systemtic Name: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2-[[(3-amyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-4-methyl-phenolate Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-3-4-7-12-23-18-9-6-5-8-17(18)22-20(23)21-14-16-13-15(2)10-11-19(16)24/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H2,21,22,24)