4-(1,6-dimethyl-4-oxidanyl-quinolin-1-ium-2-yl)benzene-1,2-diol ethanoate

Systemtic Name: 4-(1,6-dimethyl-4-oxidanyl-quinolin-1-ium-2-yl)benzene-1,2-diol ethanoate Openeye Name: 4-(4-hydroxy-1,6-dimethyl-quinolin-1-ium-2-yl)benzene-1,2-diol acetate CAS Name: 4-(4-hydroxy-1,6-dimethyl-2-quinolin-1-iumyl)benzene-1,2-diol acetate IUPAC Name: 4-(4-hydroxy-1,6-dimethylquinolin-1-ium-2-yl)benzene-1,2-diol acetate Traditional Name: 4-(4-hydroxy-1,6-dimethyl-quinolin-1-ium-2-yl)pyrocatechol acetate Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2O)C3=CC(=C(C=C3)O)O)C.CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2O)C3=CC(=C(C=C3)O)O)C.CC(=O)[O-]

InChI

InChI=1S/C17H15NO3.C2H4O2/c1-10-3-5-13-12(7-10)16(20)9-14(18(13)2)11-4-6-15(19)17(21)8-11;1-2(3)4/h3-9H,1-2H3,(H2,19,20,21);1H3,(H,3,4)