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

Systemtic Name: 6-(4-fluorophenyl)-2-[3-[[(2R)-2-methyl-3-oxidanylidene-piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(4-fluorophenyl)-2-[3-[[(2R)-2-methyl-3-oxo-piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-fluorophenyl)-2-[3-[[(2R)-2-methyl-3-oxo-1-piperazin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-fluorophenyl)-2-[3-[[(2R)-2-methyl-3-oxopiperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-fluorophenyl)-2-[3-[[(2R)-3-keto-2-methyl-piperazin-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:

CC1C(=O)NCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2/c1-14-22(29)24-9-10-27(14)13-15-3-2-4-17(11-15)21-25-19(12-20(28)26-21)16-5-7-18(23)8-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,24,29)(H,25,26,28)/p+1/t14-/m1/s1