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

Systemtic Name: methyl 1-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-9-10(2)23-15-13(9)14(20)17-12(18-15)8-19-6-4-11(5-7-19)16(21)22-3/h11H,4-8H2,1-3H3,(H,17,18,20)/p+1