diethyl 5-[2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H31N2O5S+ MolecularWeight: 411.53554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2C(CCCC2C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2[C@@H](CCC[C@H]2C)C

InChI

InChI=1S/C20H30N2O5S/c1-6-26-19(24)16-14(5)17(20(25)27-7-2)28-18(16)21-15(23)11-22-12(3)9-8-10-13(22)4/h12-13H,6-11H2,1-5H3,(H,21,23)/p+1/t12-,13-/m1/s1