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

Systemtic Name: 2-[(2-ethanoylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-1-oxidanylidene-3H-isoindol-2-ium-5-carbonitrile Openeye Name: 2-[(2-acetyl-4-piperidyl)methyl]-2-(4-fluorophenyl)-1-oxo-isoindolin-2-ium-5-carbonitrile CAS Name: 2-[(2-acetyl-4-piperidinyl)methyl]-2-(4-fluorophenyl)-1-oxo-3H-isoindol-2-ium-5-carbonitrile IUPAC Name: 2-[(2-acetylpiperidin-4-yl)methyl]-2-(4-fluorophenyl)-1-oxo-3H-isoindol-2-ium-5-carbonitrile Traditional Name: 2-[(2-acetyl-4-piperidyl)methyl]-2-(4-fluorophenyl)-1-keto-isoindolin-2-ium-5-carbonitrile Formula: C23H23FN3O2+ MolecularWeight: 392.446023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN3O2/c1-15(28)22-11-17(8-9-26-22)13-27(20-5-3-19(24)4-6-20)14-18-10-16(12-25)2-7-21(18)23(27)29/h2-7,10,17,22,26H,8-9,11,13-14H2,1H3/q+1