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

Systemtic Name: ethyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-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)C1CCC[NH+](C1)CC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

InChI

InChI=1S/C19H25N3O5S/c1-4-26-18(24)12-7-6-8-22(9-12)10-13-20-16(23)14-11(3)15(19(25)27-5-2)28-17(14)21-13/h12H,4-10H2,1-3H3,(H,20,21,23)/p+1/t12-/m0/s1