2-[4-[(4-fluoranylpiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-hydroxyphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-fluoranylpiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-hydroxyphenyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-fluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-hydroxyphenyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-fluoro-1-piperidin-1-iumyl)methyl]phenyl]-6-(4-hydroxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-fluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-hydroxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-[(4-fluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-hydroxyphenyl)-1H-pyrimidin-4-one Formula: C22H23FN3O2+ MolecularWeight: 380.435323

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1F)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)O

Isomeric SMILES

C1C[NH+](CCC1F)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H22FN3O2/c23-18-9-11-26(12-10-18)14-15-1-3-17(4-2-15)22-24-20(13-21(28)25-22)16-5-7-19(27)8-6-16/h1-8,13,18,27H,9-12,14H2,(H,24,25,28)/p+1