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

Systemtic Name: 4-(6-tert-butyl-1-methyl-4-oxidanyl-quinolin-1-ium-2-yl)benzene-1,2-diol Openeye Name: 4-(6-tert-butyl-4-hydroxy-1-methyl-quinolin-1-ium-2-yl)benzene-1,2-diol CAS Name: 4-(6-tert-butyl-4-hydroxy-1-methyl-2-quinolin-1-iumyl)benzene-1,2-diol IUPAC Name: 4-(6-tert-butyl-4-hydroxy-1-methylquinolin-1-ium-2-yl)benzene-1,2-diol Traditional Name: 4-(6-tert-butyl-4-hydroxy-1-methyl-quinolin-1-ium-2-yl)pyrocatechol Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/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/h5-11H,1-4H3,(H2,22,23,24)/p+1