2-[4-[[3,3-bis(fluoranyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[3,3-bis(fluoranyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3,3-difluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(3,3-difluoro-1-piperidin-1-iumyl)methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3,3-difluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-[(3,3-difluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C21H21F2N4O+ MolecularWeight: 383.414446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4)(F)F

Isomeric SMILES

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4)(F)F

InChI

InChI=1S/C21H20F2N4O/c22-21(23)8-1-11-27(14-21)13-15-2-4-17(5-3-15)20-25-18(12-19(28)26-20)16-6-9-24-10-7-16/h2-7,9-10,12H,1,8,11,13-14H2,(H,25,26,28)/p+1