[(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C12H16BrN2O2+ MolecularWeight: 300.17164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C12H15BrN2O2/c1-15-4-2-3-11(8-15)17-12(16)9-5-10(13)7-14-6-9/h5-7,11H,2-4,8H2,1H3/p+1/t11-/m0/s1