2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-methoxy-phenolate

Systemtic Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-methoxy-phenolate Openeye Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-methoxy-phenolate CAS Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-methoxyphenolate IUPAC Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-methoxyphenolate Traditional Name: 2-[[(3-butyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-6-methoxy-phenolate Formula: C19H23N3O2 MolecularWeight: 325.40482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-3-4-12-22-16-10-6-5-9-15(16)21-19(22)20-13-14-8-7-11-17(24-2)18(14)23/h5-11H,3-4,12-13H2,1-2H3,(H2,20,21,23)