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

Systemtic Name: 4-chloranyl-2-[1-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Openeye Name: 4-chloro-2-[1-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate CAS Name: 4-chloro-2-[1-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate IUPAC Name: 4-chloro-2-[1-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Traditional Name: 4-chloro-2-[1-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Formula: C17H18ClN3O MolecularWeight: 315.79732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O/c1-3-21-15-7-5-4-6-14(15)20-17(21)19-11(2)13-10-12(18)8-9-16(13)22/h4-11H,3H2,1-2H3,(H2,19,20,22)