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

Systemtic Name: 1-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[6-(4-methoxyphenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[6-(4-methoxyphenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[6-(4-methoxyphenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-keto-6-(4-methoxyphenyl)-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=C(N3)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=C(N3)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C20H22N4O3S/c1-27-14-4-2-12(3-5-14)16-10-15-18(28-16)20(26)23-17(22-15)11-24-8-6-13(7-9-24)19(21)25/h2-5,10,13H,6-9,11H2,1H3,(H2,21,25)(H,22,23,26)/p+1