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

Systemtic Name: 5-bromanyl-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C19H18BrFN3O2+ MolecularWeight: 419.267523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H17BrFN3O2/c20-13-1-6-17-16(11-13)18(25)19(26)24(17)12-22-7-9-23(10-8-22)15-4-2-14(21)3-5-15/h1-6,11H,7-10,12H2/p+1