ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(methylthio)pyrimidin-5-yl]methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(N=C2)SC)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(N=C2)SC)C[C@H]3CCCCO3

InChI

InChI=1S/C20H31N3O3S/c1-3-25-18(24)20(12-17-6-4-5-11-26-17)7-9-23(10-8-20)15-16-13-21-19(27-2)22-14-16/h13-14,17H,3-12,15H2,1-2H3/p+1/t17-/m1/s1