2-methoxyethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C19H26N3O6S+ MolecularWeight: 424.49124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C(=O)OC)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C(=O)OC)C(=O)OCCOC

InChI

InChI=1S/C19H25N3O6S/c1-11-14-16(23)20-13(10-22-6-4-12(5-7-22)18(24)27-3)21-17(14)29-15(11)19(25)28-9-8-26-2/h12H,4-10H2,1-3H3,(H,20,21,23)/p+1