ethyl (3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(methylthio)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C12H24NO2S+ MolecularWeight: 246.38946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCSC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCSC

InChI

InChI=1S/C12H23NO2S/c1-3-15-12(14)11-6-4-7-13(10-11)8-5-9-16-2/h11H,3-10H2,1-2H3/p+1/t11-/m0/s1