Analyte Name

(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-methoxy-3-oxopropyl)-2-methylisoquinolium Benzenesulfonate

CAS Number

1075726-88-3

Molecular Formula

C25 H34 N O6 . C6 H5 O3 S

Molecular Weight

601.708

Accurate Mass

601.235

SMILES

COC(=O)CC[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc3ccc(OC)c(OC)c3.[O-]S(=O)(=O)c4ccccc4

InChI

InChI=1S/C25H34NO6.C6H6O3S/c1-26(12-10-25(27)32-6)11-9-18-15-23(30-4)24(31-5)16-19(18)20(26)13-17-7-8-21(28-2)22(14-17)29-3;7-10(8,9)6-4-2-1-3-5-6/h7-8,14-16,20H,9-13H2,1-6H3;1-5H,(H,7,8,9)/q+1;/p-1/t20-,26-;/m1./s1

IUPAC

benzenesulfonate;methyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat