6-(4-fluorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 6-(4-fluorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 6-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 6-(4-fluorophenyl)-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 6-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 6-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1O)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN3O2S/c19-12-3-1-11(2-4-12)15-9-14-17(25-15)18(24)21-16(20-14)10-22-7-5-13(23)6-8-22/h1-4,9,13,23H,5-8,10H2,(H,20,21,24)