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

Systemtic Name: diethyl 3-methyl-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-4-24-17(22)14-12(3)15(18(23)25-5-2)26-16(14)19-13(21)11-20-9-7-6-8-10-20/h4-11H2,1-3H3,(H,19,21)/p+1