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

Systemtic Name: dimethyl 3-methyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H26N2O5S/c1-11-5-8-20(9-6-11)10-7-13(21)19-16-14(17(22)24-3)12(2)15(26-16)18(23)25-4/h11H,5-10H2,1-4H3,(H,19,21)/p+1