1-[[3-[4,5-dimethoxy-2-[(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxy-phenyl]methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 1-[[3-[4,5-dimethoxy-2-[(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxy-phenyl]methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 1-[[3-[4,5-dimethoxy-2-[(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxy-phenyl]methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: 1-[[3-[4,5-dimethoxy-2-[(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 1-[[3-[4,5-dimethoxy-2-[(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 1-[3-[4,5-dimethoxy-2-[(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxy-benzyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Formula: C41H52N2O6+2 MolecularWeight: 668.86138

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5C6=C(CC[N+]5(C)C)C=CC(=C6)OC)OC)OC)C=C(C=C2)OC)C

Isomeric SMILES

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5C6=C(CC[N+]5(C)C)C=CC(=C6)OC)OC)OC)C=C(C=C2)OC)C

InChI

InChI=1S/C41H52N2O6/c1-42(2)18-16-28-11-13-31(44-5)24-33(28)35(42)20-27-10-15-37(46-7)41(21-27)49-38-26-40(48-9)39(47-8)23-30(38)22-36-34-25-32(45-6)14-12-29(34)17-19-43(36,3)4/h10-15,21,23-26,35-36H,16-20,22H2,1-9H3/q+2