1-[[4-[5-[(6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium

Systemtic Name: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium Openeye Name: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium CAS Name: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-1-isoquinolin-2-iumyl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium IUPAC Name: 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium Traditional Name: 1-[4-[5-[(6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]-2-methoxy-phenoxy]benzyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium Formula: C39H40N2O6+2 MolecularWeight: 632.7447

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC

InChI

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