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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H23NO2S/c1-3-19-16(18)14-8-10-17(11-9-14)12-13-4-6-15(20-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3/p+1