ethyl (2S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[4-(methylthio)phenyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[4-(methylthio)benzyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H24NO2S+ MolecularWeight: 294.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H23NO2S/c1-3-19-16(18)15-6-4-5-11-17(15)12-13-7-9-14(20-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3/p+1/t15-/m0/s1