methyl 3-(cyclopropylcarbonylamino)-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(cyclopropylcarbonylamino)-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(cyclopropanecarbonylamino)-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-6-(1-piperidin-1-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclopropanecarbonylamino)-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(cyclopropanecarbonylamino)-6-(piperidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCCC3)NC(=O)C4CC4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCCC3)NC(=O)C4CC4

InChI

InChI=1S/C19H23N3O3S/c1-25-19(24)16-15(21-17(23)12-5-6-12)14-8-7-13(20-18(14)26-16)11-22-9-3-2-4-10-22/h7-8,12H,2-6,9-11H2,1H3,(H,21,23)/p+1