4-chloranyl-2-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate

Systemtic Name: 4-chloranyl-2-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-chloro-2-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-chloro-2-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-chloro-2-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 4-chloro-2-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C16H16ClN3O MolecularWeight: 301.77074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O/c1-2-20-14-6-4-3-5-13(14)19-16(20)18-10-11-9-12(17)7-8-15(11)21/h3-9H,2,10H2,1H3,(H2,18,19,21)