dimethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-(2-methoxy-2-oxo-ethyl)-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(2-methoxy-2-oxoethyl)-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H25N2O7S+ MolecularWeight: 413.4653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCCC2)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCCC2)C(=O)OC

InChI

InChI=1S/C18H24N2O7S/c1-25-13(22)9-11-14(17(23)26-2)16(28-15(11)18(24)27-3)19-12(21)10-20-7-5-4-6-8-20/h4-10H2,1-3H3,(H,19,21)/p+1