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

Systemtic Name: methyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-4-26-17(23)11-6-5-7-21(8-11)9-12-19-15(22)13-10(2)14(18(24)25-3)27-16(13)20-12/h11H,4-9H2,1-3H3,(H,19,20,22)/p+1/t11-/m0/s1