4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; (8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate; sulfuric acid; bromide

More details:

• Systematic name

  4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; (8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate; sulfuric acid; bromide

• SMILES

  [Br-].O=S(=O)(O)O.O=C(OC2CC1[N+](C)(C(CC1)C2)C(C)C)C(c3ccccc3)CO.OC(c1ccc(O)c(c1)CO)CNC(C)(C)C

• Std. InChi

  InChI=1S/C20H30NO3.C13H21NO3.BrH.H2O4S/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;;1-5(2,3)4/h4-8,14,16-19,22H,9-13H2,1-3H3;4-6,12,14-17H,7-8H2,1-3H3;1H;(H2,1,2,3,4)/q+1;;;/p-1

• Std. InChIKey

  BNVGYCPZZHPDEE-UHFFFAOYSA-M

• Cite this record

  CSID:7986455, http://www.chemspider.com/Chemical-Structure.7986455.html (accessed 13:32, Apr 28, 2024)