[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 3,3-dimethylbutanoate dihydrochloride

Systemtic Name: [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 3,3-dimethylbutanoate dihydrochloride Openeye Name: [(5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methyl] 3,3-dimethylbutanoate dihydrochloride CAS Name: 3,3-dimethylbutanoic acid [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methyl] ester dihydrochloride IUPAC Name: [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 3,3-dimethylbutanoate dihydrochloride Traditional Name: 3,3-dimethylbutyric acid [(5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methyl] ester dihydrochloride Formula: C26H38Cl2N2O3 MolecularWeight: 497.49752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)CC(C)(C)C.Cl.Cl

Isomeric SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)CC(C)(C)C.Cl.Cl

InChI

InChI=1S/C26H36N2O3.2ClH/c1-6-17-16-28-12-10-18(17)13-23(28)25(31-24(29)15-26(2,3)4)20-9-11-27-22-8-7-19(30-5)14-21(20)22;;/h7-9,11,14,17-18,23,25H,6,10,12-13,15-16H2,1-5H3;2*1H