[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C14H18BrN2O2+ MolecularWeight: 326.20892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C14H17BrN2O2/c1-17-11-2-3-12(17)6-13(5-11)19-14(18)9-4-10(15)8-16-7-9/h4,7-8,11-13H,2-3,5-6H2,1H3/p+1/t11-,12+,13?