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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)[O-])NC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)[O-])NC2=[N+](C3=CC=CC=C3N2)C

InChI

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