1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-5-fluoranyl-indole-2,3-dione

Systemtic Name: 1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-5-fluoranyl-indole-2,3-dione Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-5-fluoro-indoline-2,3-dione CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-5-fluoroindole-2,3-dione IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-5-fluoroindole-2,3-dione Traditional Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-5-fluoro-isatin Formula: C21H21FN3O3+ MolecularWeight: 382.408143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

InChI

InChI=1S/C21H20FN3O3/c1-14(26)15-2-5-17(6-3-15)24-10-8-23(9-11-24)13-25-19-7-4-16(22)12-18(19)20(27)21(25)28/h2-7,12H,8-11,13H2,1H3/p+1