methyl 3-acetamido-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-6-(4-morpholin-4-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-6-(morpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCOCC3)C(=O)OC

InChI

InChI=1S/C16H19N3O4S/c1-10(20)17-13-12-4-3-11(9-19-5-7-23-8-6-19)18-15(12)24-14(13)16(21)22-2/h3-4H,5-9H2,1-2H3,(H,17,20)/p+1