Analyte Name

Isoquinolinium, 2,2'-[1,5-Pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, [1R-[1Alpha,2Alpha(1'S*,2'R*)]]- Dibenzenesulfonate

CAS Number

96946-52-0

Molecular Formula

C53 H72 N2 O12 . 2[C6 H5 O3 S]

Molecular Weight

1243.49

SMILES

O=S([O-])(C1=CC=CC=C1)=O.COC2=C(OC)C=C([C@H]3CC4=CC(OC)=C(OC)C=C4)C(CC[N@@+]3(CCC(OCCCCCOC(CC[N@+]5(C)[C@@H](CC6=CC(OC)=C(OC)C=C6)C7=CC(OC)=C(C=C7CC5)OC)=O)=O)C)=C2.O=S([O-])(C8=CC=CC=C8)=O

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;;/p-2/t42-,43+,54-,55-;;/m1../s1

Country of Origin

CANADA

Product Format

Neat