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

Systemtic Name: ethyl 2-[(1S)-1-(4-methoxycarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(4-methoxycarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-(4-methoxycarbonyl-1-piperidin-1-iumyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(4-methoxycarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-(4-carbomethoxypiperidin-1-ium-1-yl)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH+]3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH+]3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C19H25N3O5S/c1-5-27-19(25)14-10(2)13-16(23)20-15(21-17(13)28-14)11(3)22-8-6-12(7-9-22)18(24)26-4/h11-12H,5-9H2,1-4H3,(H,20,21,23)/p+1/t11-/m0/s1