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

Systemtic Name: methyl 3-benzamido-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-6-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-6-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-15-8-6-7-13-26(15)14-17-11-12-18-19(20(23(28)29-2)30-22(18)24-17)25-21(27)16-9-4-3-5-10-16/h3-5,9-12,15H,6-8,13-14H2,1-2H3,(H,25,27)/p+1/t15-/m1/s1