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

Systemtic Name: 6-(4-fluorophenyl)-2-[4-[[(3S)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(4-fluorophenyl)-2-[4-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-fluorophenyl)-2-[4-[[(3S)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-fluorophenyl)-2-[4-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-fluorophenyl)-2-[4-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H21FN3O2+ MolecularWeight: 366.408743

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1O)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](C[C@H]1O)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O2/c22-17-7-5-15(6-8-17)19-11-20(27)24-21(23-19)16-3-1-14(2-4-16)12-25-10-9-18(26)13-25/h1-8,11,18,26H,9-10,12-13H2,(H,23,24,27)/p+1/t18-/m0/s1