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

Systemtic Name: methyl 3-benzamido-6-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-6-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-6-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-6-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-6-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H27N4O3S+ MolecularWeight: 487.59328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCCC3C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCC[C@H]3C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-34-27(33)24-23(30-25(32)18-8-3-2-4-9-18)21-13-12-20(29-26(21)35-24)17-31-15-6-5-11-22(31)19-10-7-14-28-16-19/h2-4,7-10,12-14,16,22H,5-6,11,15,17H2,1H3,(H,30,32)/p+1/t22-/m0/s1