O4-ethyl O2-methyl 3-methyl-5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 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 O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 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 O4-ethyl ester O2-methyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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