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

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-fluoranyl-indole-2,3-dione Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-fluoro-indoline-2,3-dione CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-6-fluoroindole-2,3-dione IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-fluoroindole-2,3-dione Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-fluoro-isatin Formula: C20H20ClFN3O2+ MolecularWeight: 388.843103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)F)C(=O)C3=O

InChI

InChI=1S/C20H19ClFN3O2/c1-13-2-3-14(21)10-17(13)24-8-6-23(7-9-24)12-25-18-11-15(22)4-5-16(18)19(26)20(25)27/h2-5,10-11H,6-9,12H2,1H3/p+1