6-(4-methoxyphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 6-(4-methoxyphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-6-(4-methoxyphenyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-25-14-4-2-12(3-5-14)16-10-15-18(26-16)19(24)21-17(20-15)11-22-8-6-13(23)7-9-22/h2-5,10,13,23H,6-9,11H2,1H3,(H,20,21,24)/p+1