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

Systemtic Name: methyl 3-(cyclopropylcarbonylamino)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(cyclopropanecarbonylamino)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-6-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclopropanecarbonylamino)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(cyclopropanecarbonylamino)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CC4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CC4

InChI

InChI=1S/C20H25N3O3S/c1-12-7-9-23(10-8-12)11-14-5-6-15-16(22-18(24)13-3-4-13)17(20(25)26-2)27-19(15)21-14/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,24)/p+1