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

Systemtic Name: dimethyl 3-methyl-5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H25N2O5S+ MolecularWeight: 369.4558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-10-5-7-19(8-6-10)9-12(20)18-15-13(16(21)23-3)11(2)14(25-15)17(22)24-4/h10H,5-9H2,1-4H3,(H,18,20)/p+1