trilithium; 2-acetyloxybenzoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; 2-oxidanylpropane-1,2,3-tricarboxylate; dihydrochloride

Systemtic Name: trilithium; 2-acetyloxybenzoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; 2-oxidanylpropane-1,2,3-tricarboxylate; dihydrochloride Openeye Name: trilithium; 2-acetoxybenzoic acid; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol; citrate; dihydrochloride CAS Name: trilithium; 2-acetyloxybenzoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol; 2-hydroxypropane-1,2,3-tricarboxylate; dihydrochloride IUPAC Name: trilithium; 2-acetyloxybenzoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; 2-hydroxypropane-1,2,3-tricarboxylate; dihydrochloride Traditional Name: trilithium; 2-acetoxybenzoic acid; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol; citrate; dihydrochloride Formula: C35H39Cl2Li3N2O13 MolecularWeight: 787.41876

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].CC(=O)OC1=CC=CC=C1C(=O)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.Cl.Cl

Isomeric SMILES

[Li+].[Li+].[Li+].CC(=O)OC1=CC=CC=C1C(=O)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.Cl.Cl

InChI

InChI=1S/C20H24N2O2.C9H8O4.C6H8O7.2ClH.3Li/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5H,1H3,(H,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H;;;/q;;;;;3*+1/p-3