Analyte Name

cis-1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-(3-oxo-3-((5-((1-oxo-2-propenyl)oxy)pentyl)oxy)propyl)-isoquinolinium-d3 Benzenesulfonate

Molecular Formula

C32 D3 H41 N O8 . C6 H5 O3 S

Molecular Weight

730.879

Accurate Mass

730.321

SMILES

[2H]C([2H])([2H])[N@+]1(CCC(=O)OCCCCCOC(=O)C=C)CCc2cc(OC)c(OC)cc2[C@H]1Cc3ccc(OC)c(OC)c3.[O-]S(=O)(=O)c4ccccc4

InChI

InChI=1S/C32H44NO8.C6H6O3S/c1-7-31(34)40-17-9-8-10-18-41-32(35)14-16-33(2)15-13-24-21-29(38-5)30(39-6)22-25(24)26(33)19-23-11-12-27(36-3)28(20-23)37-4;7-10(8,9)6-4-2-1-3-5-6/h7,11-12,20-22,26H,1,8-10,13-19H2,2-6H3;1-5H,(H,7,8,9)/q+1;/p-1/t26-,33-;/m1./s1/i2D3;

IUPAC

benzenesulfonate;5-prop-2-enoyloxypentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

Unlabelled CAS Number

155913-31-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat