5-fluoranyl-6-methyl-2-[3-[[(2S)-2-methyl-4-phenyl-piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-fluoranyl-6-methyl-2-[3-[[(2S)-2-methyl-4-phenyl-piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 5-fluoro-6-methyl-2-[3-[[(2S)-2-methyl-4-phenyl-piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 5-fluoro-6-methyl-2-[3-[[(2S)-2-methyl-4-phenyl-1-piperazin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 5-fluoro-6-methyl-2-[3-[[(2S)-2-methyl-4-phenylpiperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 5-fluoro-6-methyl-2-[3-[[(2S)-2-methyl-4-phenyl-piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C(=C(N3)C)F)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O/c1-16-14-28(20-9-4-3-5-10-20)12-11-27(16)15-18-7-6-8-19(13-18)22-25-17(2)21(24)23(29)26-22/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,26,29)/p+1/t16-/m0/s1