4-[(5-ethenyl-1-sulfonatosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-oxidanyl-methyl]-6-methoxy-quinoline

Systemtic Name: 4-[(5-ethenyl-1-sulfonatosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-oxidanyl-methyl]-6-methoxy-quinoline Openeye Name: 4-[hydroxy-(1-sulfonatosulfanyl-5-vinyl-quinuclidin-1-ium-2-yl)methyl]-6-methoxy-quinoline CAS Name: 4-[[5-ethenyl-1-(sulfonatothio)-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]-6-methoxyquinoline IUPAC Name: 4-[(5-ethenyl-1-sulfonatosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-methoxyquinoline Traditional Name: 4-[hydroxy-[1-(sulfonatothio)-5-vinyl-quinuclidin-1-ium-2-yl]methyl]-6-methoxy-quinoline Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[N+]3(CC4C=C)SS(=O)(=O)[O-])O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[N+]3(CC4C=C)SS(=O)(=O)[O-])O

InChI

InChI=1S/C20H24N2O5S2/c1-3-13-12-22(28-29(24,25)26)9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(27-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3