2-[(2-ethanoylpiperidin-4-yl)methyl]-5-fluoranyl-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one

Systemtic Name: 2-[(2-ethanoylpiperidin-4-yl)methyl]-5-fluoranyl-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one Openeye Name: 2-[(2-acetyl-4-piperidyl)methyl]-5-fluoro-2-(4-fluorophenyl)isoindolin-2-ium-1-one CAS Name: 2-[(2-acetyl-4-piperidinyl)methyl]-5-fluoro-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one IUPAC Name: 2-[(2-acetylpiperidin-4-yl)methyl]-5-fluoro-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one Traditional Name: 2-[(2-acetyl-4-piperidyl)methyl]-5-fluoro-2-(4-fluorophenyl)isoindolin-2-ium-1-one Formula: C22H23F2N2O2+ MolecularWeight: 385.427026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCN1)C[N+]2(CC3=C(C2=O)C=CC(=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1CC(CCN1)C[N+]2(CC3=C(C2=O)C=CC(=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23F2N2O2/c1-14(27)21-10-15(8-9-25-21)12-26(19-5-2-17(23)3-6-19)13-16-11-18(24)4-7-20(16)22(26)28/h2-7,11,15,21,25H,8-10,12-13H2,1H3/q+1