O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 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 O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 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 O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C19H29N2O6S+ MolecularWeight: 413.50836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-4-26-18(23)15-13(2)16(19(24)27-11-10-25-3)28-17(15)20-14(22)12-21-8-6-5-7-9-21/h4-12H2,1-3H3,(H,20,22)/p+1