(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-bromanylpyridine-3-carboxylate chloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-bromanylpyridine-3-carboxylate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-bromopyridine-3-carboxylate chloride CAS Name: 5-bromo-3-pyridinecarboxylic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-bromopyridine-3-carboxylate chloride Traditional Name: 5-bromonicotinic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C14H18BrClN2O2 MolecularWeight: 361.66192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O2.ClH/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;1H