ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1R)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(2R)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(1R)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO3S+ MolecularWeight: 366.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CSC)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CSC)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H31NO3S/c1-5-24-19(22)20(14-17-7-6-8-18(13-17)23-3)9-11-21(12-10-20)16(2)15-25-4/h6-8,13,16H,5,9-12,14-15H2,1-4H3/p+1/t16-/m1/s1