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

Systemtic Name: methyl 3-benzamido-6-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-6-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-6-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-6-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-6-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H24N3O4S+ MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCC(C3)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c1-29-22(28)19-18(24-20(27)14-6-3-2-4-7-14)17-10-9-15(23-21(17)30-19)12-25-11-5-8-16(26)13-25/h2-4,6-7,9-10,16,26H,5,8,11-13H2,1H3,(H,24,27)/p+1/t16-/m0/s1