[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5H-imidazo[1,2-b]pyrazole-7-carboxylate; methyl sulfate

Systemtic Name: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5H-imidazo[1,2-b]pyrazole-7-carboxylate; methyl sulfate Openeye Name: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5H-imidazo[1,2-b]pyrazole-7-carboxylate; methyl sulfate CAS Name: 5H-imidazo[1,2-b]pyrazole-7-carboxylic acid [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester; methyl sulfate IUPAC Name: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5H-imidazo[1,2-b]pyrazole-7-carboxylate; methyl sulfate Traditional Name: 5H-imidazo[1,2-b]pyrazole-7-carboxylic acid [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester; methyl sulfate Formula: C16H24N4O6S MolecularWeight: 400.44996

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C3=CNN4C3=NC=C4)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNN4C3=NC=C4)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H20N4O2.CH4O4S/c1-19(2)10-3-4-11(19)8-12(7-10)21-15(20)13-9-17-18-6-5-16-14(13)18;1-5-6(2,3)4/h5-6,9-12H,3-4,7-8H2,1-2H3;1H3,(H,2,3,4)/t10-,11+,12?;