2-[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]-2-oxidanyl-propyl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide dihydrochloride

Systemtic Name: 2-[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]-2-oxidanyl-propyl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide dihydrochloride Openeye Name: 2-[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]-2-hydroxy-propyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide dihydrochloride CAS Name: 2-[[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]-2-hydroxypropyl]thio]-N-(3,4-dimethoxyphenyl)acetamide dihydrochloride IUPAC Name: 2-[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]-2-hydroxypropyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide dihydrochloride Traditional Name: 2-[[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]-2-hydroxy-propyl]thio]-N-(3,4-dimethoxyphenyl)acetamide dihydrochloride Formula: C42H59Cl2N3O8S MolecularWeight: 836.90416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4CC(CSCC(=O)NC6=CC(=C(C=C6)OC)OC)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(CSCC(=O)NC6=CC(=C(C=C6)OC)OC)O)OC)OC)OC)OC.Cl.Cl

InChI

InChI=1S/C42H57N3O8S.2ClH/c1-8-26-22-44-13-11-27-17-37(49-3)40(52-6)20-32(27)34(44)15-29(26)16-35-33-21-41(53-7)38(50-4)18-28(33)12-14-45(35)23-31(46)24-54-25-42(47)43-30-9-10-36(48-2)39(19-30)51-5;;/h9-10,17-21,26,29,31,34-35,46H,8,11-16,22-25H2,1-7H3,(H,43,47);2*1H/t26-,29+,31?,34-,35+;;/m0../s1