4,6-bis(bromanyl)-2-[(2-ethanoylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one

Systemtic Name: 4,6-bis(bromanyl)-2-[(2-ethanoylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one Openeye Name: 2-[(2-acetyl-4-piperidyl)methyl]-4,6-dibromo-2-(4-fluorophenyl)isoindolin-2-ium-1-one CAS Name: 2-[(2-acetyl-4-piperidinyl)methyl]-4,6-dibromo-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one IUPAC Name: 2-[(2-acetylpiperidin-4-yl)methyl]-4,6-dibromo-2-(4-fluorophenyl)-3H-isoindol-2-ium-1-one Traditional Name: 2-[(2-acetyl-4-piperidyl)methyl]-4,6-dibromo-2-(4-fluorophenyl)isoindolin-2-ium-1-one Formula: C22H22Br2FN2O2+ MolecularWeight: 525.228683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCN1)C[N+]2(CC3=C(C=C(C=C3C2=O)Br)Br)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1CC(CCN1)C[N+]2(CC3=C(C=C(C=C3C2=O)Br)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22Br2FN2O2/c1-13(28)21-8-14(6-7-26-21)11-27(17-4-2-16(25)3-5-17)12-19-18(22(27)29)9-15(23)10-20(19)24/h2-5,9-10,14,21,26H,6-8,11-12H2,1H3/q+1