(1S,2R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride

Systemtic Name: (1S,2R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride Openeye Name: (1S,2R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride CAS Name: (1S,2R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride IUPAC Name: (1S,2R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride Traditional Name: (1S,2R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride Formula: C28H40Cl2N2O4 MolecularWeight: 539.5342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN2C1C3=CC(=C(C=C3CC2)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC.Cl.Cl

Isomeric SMILES

C[C@H]1[C@H](CCN2[C@@H]1C3=CC(=C(C=C3CC2)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC.Cl.Cl

InChI

InChI=1S/C28H38N2O4.2ClH/c1-17-18(12-23-21-15-26(33-4)24(31-2)13-19(21)6-9-29-23)7-10-30-11-8-20-14-25(32-3)27(34-5)16-22(20)28(17)30;;/h13-18,23,28-29H,6-12H2,1-5H3;2*1H/t17-,18+,23+,28-;;/m0../s1