diethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: diethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-3-27-19(25)17-14-8-11-23(20(26)28-4-2)12-15(14)29-18(17)21-16(24)13-22-9-6-5-7-10-22/h3-13H2,1-2H3,(H,21,24)/p+1