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

Systemtic Name: 2-methoxyethyl 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-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-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(4-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:

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

InChI

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