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

Systemtic Name: 2-[2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-[[(2S)-2-(4-fluorophenyl)-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H23FN3O+ MolecularWeight: 364.435923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCC3C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCC[C@H]3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O/c1-15-13-21(27)25-22(24-15)19-6-3-2-5-17(19)14-26-12-4-7-20(26)16-8-10-18(23)11-9-16/h2-3,5-6,8-11,13,20H,4,7,12,14H2,1H3,(H,24,25,27)/p+1/t20-/m0/s1