1-[4-[[6-bromanyl-2-(4-fluorophenyl)-3-oxidanylidene-1H-isoindol-2-ium-2-yl]methyl]piperidin-2-yl]ethyl ethanoate

Systemtic Name: 1-[4-[[6-bromanyl-2-(4-fluorophenyl)-3-oxidanylidene-1H-isoindol-2-ium-2-yl]methyl]piperidin-2-yl]ethyl ethanoate Openeye Name: 1-[4-[[5-bromo-2-(4-fluorophenyl)-1-oxo-isoindolin-2-ium-2-yl]methyl]-2-piperidyl]ethyl acetate CAS Name: acetic acid 1-[4-[[6-bromo-2-(4-fluorophenyl)-3-oxo-1H-isoindol-2-ium-2-yl]methyl]-2-piperidinyl]ethyl ester IUPAC Name: 1-[4-[[6-bromo-2-(4-fluorophenyl)-3-oxo-1H-isoindol-2-ium-2-yl]methyl]piperidin-2-yl]ethyl acetate Traditional Name: acetic acid 1-[4-[[5-bromo-2-(4-fluorophenyl)-1-keto-isoindolin-2-ium-2-yl]methyl]-2-piperidyl]ethyl ester Formula: C24H27BrFN2O3+ MolecularWeight: 490.385183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrFN2O3/c1-15(31-16(2)29)23-11-17(9-10-27-23)13-28(21-6-4-20(26)5-7-21)14-18-12-19(25)3-8-22(18)24(28)30/h3-8,12,15,17,23,27H,9-11,13-14H2,1-2H3/q+1