4-[2-(3H-benzimidazol-1-ium-1-yl)ethanoyl]-2-ethyl-5-oxidanyl-phenolate

Systemtic Name: 4-[2-(3H-benzimidazol-1-ium-1-yl)ethanoyl]-2-ethyl-5-oxidanyl-phenolate Openeye Name: 4-[2-(3H-benzimidazol-1-ium-1-yl)acetyl]-2-ethyl-5-hydroxy-phenolate CAS Name: 4-[2-(3H-benzimidazol-1-ium-1-yl)-1-oxoethyl]-2-ethyl-5-hydroxyphenolate IUPAC Name: 4-[2-(3H-benzimidazol-1-ium-1-yl)acetyl]-2-ethyl-5-hydroxyphenolate Traditional Name: 4-[2-(3H-benzimidazol-1-ium-1-yl)acetyl]-2-ethyl-5-hydroxy-phenolate Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C[N+]2=CNC3=CC=CC=C32)O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C[N+]2=CNC3=CC=CC=C32)O)[O-]

InChI

InChI=1S/C17H16N2O3/c1-2-11-7-12(16(21)8-15(11)20)17(22)9-19-10-18-13-5-3-4-6-14(13)19/h3-8,10H,2,9H2,1H3,(H2,20,21,22)