ethyl 1-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

InChI

InChI=1S/C23H27N3O3S/c1-4-29-23(28)17-9-11-26(12-10-17)13-18-24-21(27)20-19(15(3)30-22(20)25-18)16-7-5-14(2)6-8-16/h5-8,17H,4,9-13H2,1-3H3,(H,24,25,27)/p+1