2-[3-[(4-fluoranylpiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[(4-fluoranylpiperidin-1-ium-1-yl)methyl]phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one Openeye Name: 6-(4-fluorophenyl)-2-[3-[(4-fluoropiperidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-fluorophenyl)-2-[3-[(4-fluoro-1-piperidin-1-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-fluorophenyl)-2-[3-[(4-fluoropiperidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-fluorophenyl)-2-[3-[(4-fluoropiperidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H22F2N3O+ MolecularWeight: 382.426386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F2N3O/c23-18-6-4-16(5-7-18)20-13-21(28)26-22(25-20)17-3-1-2-15(12-17)14-27-10-8-19(24)9-11-27/h1-7,12-13,19H,8-11,14H2,(H,25,26,28)/p+1