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

Systemtic Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-2-methyl-isoquinolin-2-ium Openeye Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-2-methyl-isoquinolin-2-ium CAS Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(2-methyl-1-isoquinolin-2-iumyl)methyl]phenoxy]phenyl]methyl]-2-methylisoquinolin-2-ium IUPAC Name: 1-[[4,5-dimethoxy-2-[2-methoxy-5-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-2-methylisoquinolin-2-ium Traditional Name: 1-[4,5-dimethoxy-2-[2-methoxy-5-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]benzyl]-2-methyl-isoquinolin-2-ium Formula: C37H36N2O4+2 MolecularWeight: 572.69274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5=[N+](C=CC6=CC=CC=C65)C)OC)OC

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5=[N+](C=CC6=CC=CC=C65)C)OC)OC

InChI

InChI=1S/C37H36N2O4/c1-38-18-16-26-10-6-8-12-29(26)31(38)20-25-14-15-33(40-3)37(21-25)43-34-24-36(42-5)35(41-4)23-28(34)22-32-30-13-9-7-11-27(30)17-19-39(32)2/h6-19,21,23-24H,20,22H2,1-5H3/q+2