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

Systemtic Name: diethyl 3-methyl-5-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H29N2O5S+ MolecularWeight: 397.50896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCCC(C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCC[C@@H](C2)C

InChI

InChI=1S/C19H28N2O5S/c1-5-25-18(23)15-13(4)16(19(24)26-6-2)27-17(15)20-14(22)11-21-9-7-8-12(3)10-21/h12H,5-11H2,1-4H3,(H,20,22)/p+1/t12-/m0/s1