ethyl (3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H24NO2S+ MolecularWeight: 294.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H23NO2S/c1-3-19-16(18)14-5-4-10-17(12-14)11-13-6-8-15(20-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3/p+1/t14-/m1/s1