[(6,7-dimethoxyisoquinolin-1-yl)-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [(6,7-dimethoxyisoquinolin-1-yl)-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl] 4-methylbenzenesulfonate Openeye Name: [(6,7-dimethoxy-1-isoquinolyl)-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(6,7-dimethoxy-1-isoquinolinyl)-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl] ester IUPAC Name: [(6,7-dimethoxyisoquinolin-1-yl)-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(6,7-dimethoxy-1-isoquinolyl)-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl] ester Formula: C36H42N2O7S MolecularWeight: 646.79288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC3=CC(=C(C=C3C2CC1C(C4=NC=CC5=CC(=C(C=C54)OC)OC)OS(=O)(=O)C6=CC=C(C=C6)C)OC)OC

Isomeric SMILES

CCC1CN2CCC3=CC(=C(C=C3C2CC1C(C4=NC=CC5=CC(=C(C=C54)OC)OC)OS(=O)(=O)C6=CC=C(C=C6)C)OC)OC

InChI

InChI=1S/C36H42N2O7S/c1-7-23-21-38-15-13-25-17-32(42-4)33(43-5)19-27(25)30(38)18-29(23)36(45-46(39,40)26-10-8-22(2)9-11-26)35-28-20-34(44-6)31(41-3)16-24(28)12-14-37-35/h8-12,14,16-17,19-20,23,29-30,36H,7,13,15,18,21H2,1-6H3