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

Systemtic Name: 1-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate Openeye Name: 1-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate CAS Name: 1-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-2-naphthalenolate IUPAC Name: 1-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate Traditional Name: 1-[[(3-nonyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]naphthalen-2-olate Formula: C27H33N3O MolecularWeight: 415.57042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O/c1-2-3-4-5-6-7-12-19-30-25-16-11-10-15-24(25)29-27(30)28-20-23-22-14-9-8-13-21(22)17-18-26(23)31/h8-11,13-18H,2-7,12,19-20H2,1H3,(H2,28,29,31)