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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(F)F)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1(F)F)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CC=CC=N4

InChI

InChI=1S/C21H20F2N4O/c22-21(23)8-11-27(12-9-21)14-15-5-1-2-6-16(15)20-25-18(13-19(28)26-20)17-7-3-4-10-24-17/h1-7,10,13H,8-9,11-12,14H2,(H,25,26,28)/p+1