[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (5-tert-butyl-2,3-dihydroxy-phenyl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (5-tert-butyl-2,3-dihydroxyphenyl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (5-tert-butyl-2,3-dihydroxyphenyl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (5-tert-butyl-2,3-dihydroxy-benzyl)-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H28NO2S+ MolecularWeight: 346.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H27NO2S/c1-20(2,3)16-10-15(19(23)18(22)11-16)13-21(4)12-14-6-8-17(24-5)9-7-14/h6-11,22-23H,12-13H2,1-5H3/p+1