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

Systemtic Name: ethyl 1-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[6-(4-methoxyphenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-(4-methoxyphenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-(4-methoxyphenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-keto-6-(4-methoxyphenyl)-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O4S/c1-3-29-22(27)15-8-10-25(11-9-15)13-19-23-17-12-18(30-20(17)21(26)24-19)14-4-6-16(28-2)7-5-14/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,23,24,26)/p+1