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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O/c1-2-3-8-13-22-17-11-6-5-10-16(17)21-19(22)20-14-15-9-4-7-12-18(15)23/h4-7,9-12H,2-3,8,13-14H2,1H3,(H2,20,21,23)