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

Systemtic Name: 5-fluoranyl-6-methyl-2-[3-[[(3S)-3-phenylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 5-fluoro-6-methyl-2-[3-[[(3S)-3-phenylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 5-fluoro-6-methyl-2-[3-[[(3S)-3-phenyl-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 5-fluoro-6-methyl-2-[3-[[(3S)-3-phenylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 5-fluoro-6-methyl-2-[3-[[(3S)-3-phenylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H25FN3O+ MolecularWeight: 378.462503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCCC(C3)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC[C@H](C3)C4=CC=CC=C4)F

InChI

InChI=1S/C23H24FN3O/c1-16-21(24)23(28)26-22(25-16)19-10-5-7-17(13-19)14-27-12-6-11-20(15-27)18-8-3-2-4-9-18/h2-5,7-10,13,20H,6,11-12,14-15H2,1H3,(H,25,26,28)/p+1/t20-/m1/s1