ethyl 1-[2-(4-methylphenyl)sulfanylethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylphenyl)sulfanylethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(p-tolylsulfanyl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylphenyl)sulfanylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(p-tolylthio)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO2S+ MolecularWeight: 308.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C17H25NO2S/c1-3-20-17(19)15-8-10-18(11-9-15)12-13-21-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3/p+1