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

Systemtic Name: methyl 3-(cyclopropylcarbonylamino)-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(cyclopropanecarbonylamino)-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-6-[(4-phenyl-1-piperidin-1-iumyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclopropanecarbonylamino)-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(cyclopropanecarbonylamino)-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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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)C4=CC=CC=C4)NC(=O)C5CC5

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4)NC(=O)C5CC5

InChI

InChI=1S/C25H27N3O3S/c1-31-25(30)22-21(27-23(29)18-7-8-18)20-10-9-19(26-24(20)32-22)15-28-13-11-17(12-14-28)16-5-3-2-4-6-16/h2-6,9-10,17-18H,7-8,11-15H2,1H3,(H,27,29)/p+1