2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H20ClFN3O2+ MolecularWeight: 388.843103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19ClFN3O2/c21-17-6-3-7-18(22)16(17)12-23-8-10-24(11-9-23)13-25-19(26)14-4-1-2-5-15(14)20(25)27/h1-7H,8-13H2/p+1