diethyl 3-methyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]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)CC[NH+]2CCC(CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CC[NH+]2CCC(CC2)C

InChI

InChI=1S/C20H30N2O5S/c1-5-26-19(24)16-14(4)17(20(25)27-6-2)28-18(16)21-15(23)9-12-22-10-7-13(3)8-11-22/h13H,5-12H2,1-4H3,(H,21,23)/p+1