benzenesulfonic acid;5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

More details:

• Systematic name

  benzenesulfonic acid;5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

• SMILES

  C[N@@+]1(CCC2=CC(OC)=C(C=C2[C@H]1CC1=CC(OC)=C(C=C1)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC2=CC(OC)=C(C=C2[C@H]1CC1=CC(OC)=C(C=C1)OC)OC.OS(=O)(=O)C1C=CC=CC=1.OS(=O)(=O)C1C=CC=CC=1

• Std. InChi

  InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/t42-,43-,54-,55-;;/m1../s1

• Std. InChIKey

  XXZSQOVSEBAPGS-DONVQRBFSA-N

• Cite this record

  CSID:78429609, http://www.chemspider.com/Chemical-Structure.78429609.html (accessed 18:07, Apr 16, 2024)