(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol; sulfuric acid; hexahydrate

Systemtic Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol; sulfuric acid; hexahydrate Openeye Name: 4-quinolyl-(5-vinylquinuclidin-2-yl)methanol; sulfuric acid; hexahydrate CAS Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methanol; sulfuric acid; hexahydrate IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol; sulfuric acid; hexahydrate Traditional Name: 4-quinolyl-(5-vinylquinuclidin-2-yl)methanol; sulfuric acid; hexahydrate Formula: C38H58N4O12S MolecularWeight: 794.95172

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.O.O.O.O.O.O.OS(=O)(=O)O

Isomeric SMILES

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.O.O.O.O.O.O.OS(=O)(=O)O

InChI

InChI=1S/2C19H22N2O.H2O4S.6H2O/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4;;;;;;/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4);6*1H2