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

Systemtic Name: ethyl 1-(3-methylsulfanylpropyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(3-methylsulfanylpropyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(methylthio)propyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylsulfanylpropyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(methylthio)propyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H34NO3S+ MolecularWeight: 344.53246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCCSC)CC2CCCCO2

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCCSC)C[C@H]2CCCCO2

InChI

InChI=1S/C18H33NO3S/c1-3-21-17(20)18(15-16-7-4-5-13-22-16)8-11-19(12-9-18)10-6-14-23-2/h16H,3-15H2,1-2H3/p+1/t16-/m1/s1