1-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate

Systemtic Name: 1-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate Openeye Name: 1-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate CAS Name: 1-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-2-naphthalenolate IUPAC Name: 1-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate Traditional Name: 1-[[(3-octyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC4=CC=CC=C43)[O-]

Isomeric SMILES

CCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC4=CC=CC=C43)[O-]

InChI

InChI=1S/C26H31N3O/c1-2-3-4-5-6-11-18-29-24-15-10-9-14-23(24)28-26(29)27-19-22-21-13-8-7-12-20(21)16-17-25(22)30/h7-10,12-17H,2-6,11,18-19H2,1H3,(H2,27,28,30)