diethyl 3-methyl-5-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-piperidin-1-ium-1-ylpropanoylamino)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)CC[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CC[NH+]2CCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-4-25-18(23)15-13(3)16(19(24)26-5-2)27-17(15)20-14(22)9-12-21-10-7-6-8-11-21/h4-12H2,1-3H3,(H,20,22)/p+1