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

Systemtic Name: (3-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol; sulfuric acid Openeye Name: 4-quinolyl-(3-vinylquinuclidin-2-yl)methanol; sulfuric acid CAS Name: (3-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methanol; sulfuric acid IUPAC Name: (3-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol; sulfuric acid Traditional Name: 4-quinolyl-(3-vinylquinuclidin-2-yl)methanol; sulfuric acid Formula: C38H46N4O6S MolecularWeight: 686.86004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2CCN(C1C(C3=CC=NC4=CC=CC=C34)O)CC2.C=CC1C2CCN(C1C(C3=CC=NC4=CC=CC=C34)O)CC2.OS(=O)(=O)O

Isomeric SMILES

C=CC1C2CCN(C1C(C3=CC=NC4=CC=CC=C34)O)CC2.C=CC1C2CCN(C1C(C3=CC=NC4=CC=CC=C34)O)CC2.OS(=O)(=O)O

InChI

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