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

Systemtic Name: methyl 6-(piperidin-1-ium-1-ylmethyl)-3-(thiophen-3-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-(piperidin-1-ium-1-ylmethyl)-3-(thiophene-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]-6-(1-piperidin-1-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(piperidin-1-ium-1-ylmethyl)-3-(thiophene-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(piperidin-1-ium-1-ylmethyl)-3-(3-thenoylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

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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)C4=CSC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCCC3)NC(=O)C4=CSC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-26-20(25)17-16(22-18(24)13-7-10-27-12-13)15-6-5-14(21-19(15)28-17)11-23-8-3-2-4-9-23/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,22,24)/p+1