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

Systemtic Name: 2-[(2-ethanoylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-5-methoxy-3H-isoindol-2-ium-1-one Openeye Name: 2-[(2-acetyl-4-piperidyl)methyl]-2-(4-fluorophenyl)-5-methoxy-isoindolin-2-ium-1-one CAS Name: 2-[(2-acetyl-4-piperidinyl)methyl]-2-(4-fluorophenyl)-5-methoxy-3H-isoindol-2-ium-1-one IUPAC Name: 2-[(2-acetylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-5-methoxy-3H-isoindol-2-ium-1-one Traditional Name: 2-[(2-acetyl-4-piperidyl)methyl]-2-(4-fluorophenyl)-5-methoxy-isoindolin-2-ium-1-one Formula: C23H26FN2O3+ MolecularWeight: 397.462543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN2O3/c1-15(27)22-11-16(9-10-25-22)13-26(19-5-3-18(24)4-6-19)14-17-12-20(29-2)7-8-21(17)23(26)28/h3-8,12,16,22,25H,9-11,13-14H2,1-2H3/q+1