6-tert-butyl-2-(4-hydroxyphenyl)-1-methyl-quinolin-1-ium-4-ol ethanoate

Systemtic Name: 6-tert-butyl-2-(4-hydroxyphenyl)-1-methyl-quinolin-1-ium-4-ol ethanoate Openeye Name: 6-tert-butyl-2-(4-hydroxyphenyl)-1-methyl-quinolin-1-ium-4-ol acetate CAS Name: 6-tert-butyl-2-(4-hydroxyphenyl)-1-methyl-4-quinolin-1-iumol acetate IUPAC Name: 6-tert-butyl-2-(4-hydroxyphenyl)-1-methylquinolin-1-ium-4-ol acetate Traditional Name: 6-tert-butyl-2-(4-hydroxyphenyl)-1-methyl-quinolin-1-ium-4-ol acetate Formula: C22H25NO4 MolecularWeight: 367.4382

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2.C2H4O2/c1-20(2,3)14-7-10-17-16(11-14)19(23)12-18(21(17)4)13-5-8-15(22)9-6-13;1-2(3)4/h5-12H,1-4H3,(H,22,23);1H3,(H,3,4)