[2-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide

Systemtic Name: [2-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide Openeye Name: [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-[2-(4-hydroxyphenyl)-1-methyl-ethyl]ammonium bromide CAS Name: [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]ammonium bromide IUPAC Name: [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide Traditional Name: [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-[2-(4-hydroxyphenyl)-1-methyl-ethyl]ammonium bromide Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]

InChI

InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H