(1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride

Systemtic Name: (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride Openeye Name: (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride CAS Name: (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride IUPAC Name: (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride Traditional Name: (1R)-1-[[(3R)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol dichloride Formula: C28H40Cl2N2O4 MolecularWeight: 539.5342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+]2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CC[NH2+]4)O)OC)OC)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[C@H]1C[NH+]2CCC3=CC(=C(C=C3C2CC1C[C@@H]4C5=CC(=C(C=C5CC[NH2+]4)O)OC)OC)OC.[Cl-].[Cl-]

InChI

InChI=1S/C28H38N2O4.2ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;2*1H/t17-,20?,23+,24?;;/m0../s1