2,4-bis(chloranyl)-6-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dichloro-6-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[(3-ethyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C16H15Cl2N3O MolecularWeight: 336.2158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2N3O/c1-2-21-14-6-4-3-5-13(14)20-16(21)19-9-10-7-11(17)8-12(18)15(10)22/h3-8H,2,9H2,1H3,(H2,19,20,22)