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

Systemtic Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(3-oxo-1-piperazin-1-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-fluorobenzyl)-2-[3-[(3-ketopiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H22FN4O2+ MolecularWeight: 393.434083

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H21FN4O2/c23-18-6-2-3-15(10-18)11-19-12-20(28)26-22(25-19)17-5-1-4-16(9-17)13-27-8-7-24-21(29)14-27/h1-6,9-10,12H,7-8,11,13-14H2,(H,24,29)(H,25,26,28)/p+1