tert-butyl 3-cyano-3-(1-oxidanidylpyridin-1-ium-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl 3-cyano-3-(1-oxidanidylpyridin-1-ium-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl 3-cyano-3-(1-oxidopyridin-1-ium-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-cyano-3-(1-oxido-3-pyridin-1-iumyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-3-(1-oxidopyridin-1-ium-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-cyano-3-(1-oxidopyridin-1-ium-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1CC(C2)(C#N)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCC1CC(C2)(C#N)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H23N3O3/c1-17(2,3)24-16(22)21-14-6-7-15(21)10-18(9-14,12-19)13-5-4-8-20(23)11-13/h4-5,8,11,14-15H,6-7,9-10H2,1-3H3