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

Systemtic Name: 2-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2-[[(3-heptyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-2-3-4-5-10-15-24-19-13-8-7-12-18(19)23-21(24)22-16-17-11-6-9-14-20(17)25/h6-9,11-14H,2-5,10,15-16H2,1H3,(H2,22,23,25)