1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylethanoate; sulfuric acid; dihydrate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylethanoate; sulfuric acid; dihydrate Openeye Name: quinuclidin-3-yl 2,2-diphenylacetate; sulfuric acid; dihydrate CAS Name: 2,2-diphenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester; sulfuric acid; dihydrate IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate; sulfuric acid; dihydrate Traditional Name: 2,2-diphenylacetic acid quinuclidin-3-yl ester; sulfuric acid; dihydrate Formula: C42H52N2O10S MolecularWeight: 776.93468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.O.O.OS(=O)(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.O.O.OS(=O)(=O)O

InChI

InChI=1S/2C21H23NO2.H2O4S.2H2O/c2*23-21(24-19-15-22-13-11-16(19)12-14-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-5(2,3)4;;/h2*1-10,16,19-20H,11-15H2;(H2,1,2,3,4);2*1H2