[(3S)-1-methylpiperidin-1-ium-3-yl] cyclohexanecarboxylate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] cyclohexanecarboxylate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C13H24NO2+ MolecularWeight: 226.33516

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2CCCCC2

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2CCCCC2

InChI

InChI=1S/C13H23NO2/c1-14-9-5-8-12(10-14)16-13(15)11-6-3-2-4-7-11/h11-12H,2-10H2,1H3/p+1/t12-/m0/s1