Analyte Name

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

CAS Number

2411761-86-7

Molecular Formula

C31H44NO8.C6H5O3S

Molecular Weight

715.85

Accurate Mass

715.31

SMILES

S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCOC(C)=O)=O)C)C3=CC(OC)=C(OC)C=C3

InChI

InChI=1S/C31H44NO8.C6H6O3S/c1-22(33)39-16-8-7-9-17-40-31(34)13-15-32(2)14-12-24-20-29(37-5)30(38-6)21-25(24)26(32)18-23-10-11-27(35-3)28(19-23)36-4;7-10(8,9)6-4-2-1-3-5-6/h10-11,19-21,26H,7-9,12-18H2,1-6H3;1-5H,(H,7,8,9)/q+1;/p-1/t26-,32-;/m1./s1

IUPAC

(1R,2R)-2-(3-((5-acetoxypentyl)oxy)-3-oxopropyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat