1-[[4,5-dimethoxy-2-[2-methoxy-5-[(7-methoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-isoquinolin-2-ium

Systemtic Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(7-methoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-isoquinolin-2-ium Openeye Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(7-methoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(7-methoxy-2-methyl-1-isoquinolin-2-iumyl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methylisoquinolin-2-ium IUPAC Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(7-methoxy-2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methylisoquinolin-2-ium Traditional Name: 1-[4,5-dimethoxy-2-[2-methoxy-5-[(7-methoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]phenoxy]benzyl]-7-methoxy-2-methyl-isoquinolin-2-ium Formula: C39H40N2O6+2 MolecularWeight: 632.7447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2)OC)C=C1)CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5=[N+](C=CC6=C5C=C(C=C6)OC)C)OC)OC

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2)OC)C=C1)CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5=[N+](C=CC6=C5C=C(C=C6)OC)C)OC)OC

InChI

InChI=1S/C39H40N2O6/c1-40-16-14-26-9-11-29(42-3)22-31(26)33(40)18-25-8-13-35(44-5)39(19-25)47-36-24-38(46-7)37(45-6)21-28(36)20-34-32-23-30(43-4)12-10-27(32)15-17-41(34)2/h8-17,19,21-24H,18,20H2,1-7H3/q+2