2-[3,4-bis(oxidanyl)phenyl]ethyl-[4-(4-hydroxyphenyl)-2-methyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]ethyl-[4-(4-hydroxyphenyl)-2-methyl-butan-2-yl]-dimethyl-azanium Openeye Name: 2-(3,4-dihydroxyphenyl)ethyl-[3-(4-hydroxyphenyl)-1,1-dimethyl-propyl]-dimethyl-ammonium CAS Name: 2-(3,4-dihydroxyphenyl)ethyl-[4-(4-hydroxyphenyl)-2-methylbutan-2-yl]-dimethylammonium IUPAC Name: 2-(3,4-dihydroxyphenyl)ethyl-[4-(4-hydroxyphenyl)-2-methylbutan-2-yl]-dimethylazanium Traditional Name: 2-(3,4-dihydroxyphenyl)ethyl-[3-(4-hydroxyphenyl)-1,1-dimethyl-propyl]-dimethyl-ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(C=C1)O)[N+](C)(C)CCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CC(C)(CCC1=CC=C(C=C1)O)[N+](C)(C)CCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C21H29NO3/c1-21(2,13-11-16-5-8-18(23)9-6-16)22(3,4)14-12-17-7-10-19(24)20(25)15-17/h5-10,15H,11-14H2,1-4H3,(H2-,23,24,25)/p+1