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

Systemtic Name: 4-bromanyl-2-[(2-ethanoylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one Openeye Name: 2-[(2-acetyl-4-piperidyl)methyl]-4-bromo-2-(4-fluorophenyl)isoindolin-2-ium-1-one CAS Name: 2-[(2-acetyl-4-piperidinyl)methyl]-4-bromo-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one IUPAC Name: 2-[(2-acetylpiperidin-4-yl)methyl]-4-bromo-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one Traditional Name: 2-[(2-acetyl-4-piperidyl)methyl]-4-bromo-2-(4-fluorophenyl)isoindolin-2-ium-1-one Formula: C22H23BrFN2O2+ MolecularWeight: 446.332623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCN1)C[N+]2(CC3=C(C2=O)C=CC=C3Br)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1CC(CCN1)C[N+]2(CC3=C(C2=O)C=CC=C3Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23BrFN2O2/c1-14(27)21-11-15(9-10-25-21)12-26(17-7-5-16(24)6-8-17)13-19-18(22(26)28)3-2-4-20(19)23/h2-8,15,21,25H,9-13H2,1H3/q+1