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

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C20H31N2O6S+ MolecularWeight: 427.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCCCC2C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S/c1-5-27-19(24)16-14(3)17(20(25)28-11-10-26-4)29-18(16)21-15(23)12-22-9-7-6-8-13(22)2/h13H,5-12H2,1-4H3,(H,21,23)/p+1/t13-/m0/s1