5-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,3-diol bromide

Systemtic Name: 5-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,3-diol bromide Openeye Name: 5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol bromide CAS Name: 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol bromide IUPAC Name: 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol bromide Traditional Name: 5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]resorcinol bromide Formula: C17H21BrNO4- MolecularWeight: 383.25694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CC1=CC=C(C=C1)O)NCC(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/p-1