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

Systemtic Name: ethyl 5-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCCCC3C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-4-23-17(22)14-11(3)13-15(21)18-12(19-16(13)24-14)9-20-8-6-5-7-10(20)2/h10H,4-9H2,1-3H3,(H,18,19,21)/p+1/t10-/m0/s1