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

Systemtic Name: 2-ethyl-4-[2-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanoyl]-5-oxidanyl-phenolate Openeye Name: 2-ethyl-5-hydroxy-4-[2-(3-methyl-1H-benzimidazol-3-ium-2-yl)acetyl]phenolate CAS Name: 2-ethyl-5-hydroxy-4-[2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1-oxoethyl]phenolate IUPAC Name: 2-ethyl-5-hydroxy-4-[2-(3-methyl-1H-benzimidazol-3-ium-2-yl)acetyl]phenolate Traditional Name: 2-ethyl-5-hydroxy-4-[2-(3-methyl-1H-benzimidazol-3-ium-2-yl)acetyl]phenolate Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)CC2=[N+](C3=CC=CC=C3N2)C)O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)CC2=[N+](C3=CC=CC=C3N2)C)O)[O-]

InChI

InChI=1S/C18H18N2O3/c1-3-11-8-12(16(22)9-15(11)21)17(23)10-18-19-13-6-4-5-7-14(13)20(18)2/h4-9H,3,10H2,1-2H3,(H2,21,22,23)