Analyte Name

(1S,2R)-2-(3-((5-(Acryloyloxy)pentyl)oxy)-3-oxopropyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Benzenesulfonate

CAS Number

155913-32-9

Molecular Formula

C32H44NO8.C6H5O3S

Molecular Weight

727.87

Accurate Mass

727.3

SMILES

COC(C=C(CC[N@+]1(C)CCC(OCCCCCOC(C=C)=O)=O)C([C@@H]1CC2=CC(OC)=C(C=C2)OC)=C3)=C3OC.O=S(C4=CC=CC=C4)([O-])=O

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+;/m0./s1

IUPAC

(1S,2R)-2-(3-((5-(Acryloyloxy)pentyl)oxy)-3-oxopropyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Benzenesulfonate

Alternate CAS Number

119403-00-8

Country of Origin

CANADA

Product Format

Neat