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

Systemtic Name: 2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O/c1-2-11-20-15-9-5-4-8-14(15)19-17(20)18-12-13-7-3-6-10-16(13)21/h3-10H,2,11-12H2,1H3,(H2,18,19,21)