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

Systemtic Name: ethyl 1-[4-(4-methylphenyl)sulfanylbutyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[4-(p-tolylsulfanyl)butyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[4-[(4-methylphenyl)thio]butyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methylphenyl)sulfanylbutyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-(p-tolylthio)butyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H30NO2S+ MolecularWeight: 336.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C19H29NO2S/c1-3-22-19(21)17-10-13-20(14-11-17)12-4-5-15-23-18-8-6-16(2)7-9-18/h6-9,17H,3-5,10-15H2,1-2H3/p+1