1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-(phenylmethylsulfanyl)propan-2-ol dihydrochloride

Systemtic Name: 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-(phenylmethylsulfanyl)propan-2-ol dihydrochloride Openeye Name: 1-benzylsulfanyl-3-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol dihydrochloride CAS Name: 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-(phenylmethylthio)-2-propanol dihydrochloride IUPAC Name: 1-benzylsulfanyl-3-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol dihydrochloride Traditional Name: 1-(benzylthio)-3-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol dihydrochloride Formula: C39H54Cl2N2O5S MolecularWeight: 733.82746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4CC(CSCC6=CC=CC=C6)O)OC)OC)OC)OC.Cl.Cl

Isomeric SMILES

CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CSCC6=CC=CC=C6)O)OC)OC)OC)OC.Cl.Cl

InChI

InChI=1S/C39H52N2O5S.2ClH/c1-6-27-22-40-14-12-28-18-36(43-2)38(45-4)20-32(28)34(40)16-30(27)17-35-33-21-39(46-5)37(44-3)19-29(33)13-15-41(35)23-31(42)25-47-24-26-10-8-7-9-11-26;;/h7-11,18-21,27,30-31,34-35,42H,6,12-17,22-25H2,1-5H3;2*1H/t27-,30+,31?,34-,35+;;/m0../s1