4-(6-tert-butyl-1-methyl-4-oxidanyl-quinolin-1-ium-2-yl)benzene-1,2-diol ethanoate

Systemtic Name: 4-(6-tert-butyl-1-methyl-4-oxidanyl-quinolin-1-ium-2-yl)benzene-1,2-diol ethanoate Openeye Name: 4-(6-tert-butyl-4-hydroxy-1-methyl-quinolin-1-ium-2-yl)benzene-1,2-diol acetate CAS Name: 4-(6-tert-butyl-4-hydroxy-1-methyl-2-quinolin-1-iumyl)benzene-1,2-diol acetate IUPAC Name: 4-(6-tert-butyl-4-hydroxy-1-methylquinolin-1-ium-2-yl)benzene-1,2-diol acetate Traditional Name: 4-(6-tert-butyl-4-hydroxy-1-methyl-quinolin-1-ium-2-yl)pyrocatechol acetate Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3.C2H4O2/c1-20(2,3)13-6-7-15-14(10-13)18(23)11-16(21(15)4)12-5-8-17(22)19(24)9-12;1-2(3)4/h5-11H,1-4H3,(H2,22,23,24);1H3,(H,3,4)