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

Systemtic Name: 2-methoxyethyl 5-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-11-5-4-6-21(9-11)10-13-19-16(22)14-12(2)15(26-17(14)20-13)18(23)25-8-7-24-3/h11H,4-10H2,1-3H3,(H,19,20,22)/p+1/t11-/m1/s1