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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-14-18-20(26)23-17(24-21(18)29-19(14)22(27)28-2)13-25-10-8-16(9-11-25)12-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H,23,24,26)/p+1