methyl 6-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-3-benzamido-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-3-benzamido-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-6-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-6-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-6-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-6-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H25N4O4S+ MolecularWeight: 453.534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCC(CC3)C(=O)N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCC(CC3)C(=O)N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4S/c1-31-23(30)19-18(26-21(29)15-5-3-2-4-6-15)17-8-7-16(25-22(17)32-19)13-27-11-9-14(10-12-27)20(24)28/h2-8,14H,9-13H2,1H3,(H2,24,28)(H,26,29)/p+1