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-tert-butylsulfanyl-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-tert-butylsulfanyl-propan-2-ol dihydrochloride Openeye 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-tert-butylsulfanyl-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-(tert-butylthio)-2-propanol dihydrochloride IUPAC 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-tert-butylsulfanylpropan-2-ol dihydrochloride Traditional 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-(tert-butylthio)propan-2-ol dihydrochloride Formula: C36H56Cl2N2O5S MolecularWeight: 699.81124

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H54N2O5S.2ClH/c1-9-23-20-37-12-10-24-16-32(40-5)34(42-7)18-28(24)30(37)14-26(23)15-31-29-19-35(43-8)33(41-6)17-25(29)11-13-38(31)21-27(39)22-44-36(2,3)4;;/h16-19,23,26-27,30-31,39H,9-15,20-22H2,1-8H3;2*1H/t23-,26+,27?,30-,31+;;/m0../s1