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

Systemtic Name: 2-[(2-ethanoylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-6-nitro-3H-isoindol-2-ium-1-one Openeye Name: 2-[(2-acetyl-4-piperidyl)methyl]-2-(4-fluorophenyl)-6-nitro-isoindolin-2-ium-1-one CAS Name: 2-[(2-acetyl-4-piperidinyl)methyl]-2-(4-fluorophenyl)-6-nitro-3H-isoindol-2-ium-1-one IUPAC Name: 2-[(2-acetylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-6-nitro-3H-isoindol-2-ium-1-one Traditional Name: 2-[(2-acetyl-4-piperidyl)methyl]-2-(4-fluorophenyl)-6-nitro-isoindolin-2-ium-1-one Formula: C22H23FN3O4+ MolecularWeight: 412.434123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN3O4/c1-14(27)21-10-15(8-9-24-21)12-26(19-6-3-17(23)4-7-19)13-16-2-5-18(25(29)30)11-20(16)22(26)28/h2-7,11,15,21,24H,8-10,12-13H2,1H3/q+1