ethyl 1-[(2R)-1-methylsulfanylpropan-2-yl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-methylsulfanylpropan-2-yl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-methylsulfanyl-ethyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(methylthio)propan-2-yl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-methylsulfanylpropan-2-yl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-1-methyl-2-(methylthio)ethyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO2S+ MolecularWeight: 350.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CSC)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CSC)CCC2=CC=CC=C2

InChI

InChI=1S/C20H31NO2S/c1-4-23-19(22)20(11-10-18-8-6-5-7-9-18)12-14-21(15-13-20)17(2)16-24-3/h5-9,17H,4,10-16H2,1-3H3/p+1/t17-/m1/s1