[(3S)-1-methylpiperidin-1-ium-3-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C12H16ClN2O2+ MolecularWeight: 255.72064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O2/c1-15-7-3-4-9(8-15)17-12(16)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3/p+1/t9-/m0/s1