5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-isoindole-1,3-dione

Systemtic Name: 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-isoindole-1,3-dione Openeye Name: 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-isoindoline-1,3-dione CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methylisoindole-1,3-dione IUPAC Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methylisoindole-1,3-dione Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]-2-methyl-isoindoline-1,3-quinone Formula: C21H20ClFN3O3+ MolecularWeight: 416.853203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H19ClFN3O3/c1-24-20(28)14-6-5-13(11-15(14)21(24)29)19(27)26-9-7-25(8-10-26)12-16-17(22)3-2-4-18(16)23/h2-6,11H,7-10,12H2,1H3/p+1