6-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-7-methylsulfanyl-quinoline-5,8-dione

Systemtic Name: 6-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-7-methylsulfanyl-quinoline-5,8-dione Openeye Name: 6-[1-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-7-methylsulfanyl-quinoline-5,8-dione CAS Name: 6-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-7-(methylthio)quinoline-5,8-dione IUPAC Name: 6-[1-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-7-methylsulfanylquinoline-5,8-dione Traditional Name: 6-[1-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-7-(methylthio)quinoline-5,8-quinone Formula: C21H18ClF3N3O2S+ MolecularWeight: 468.89973

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)[N+]3(CCNCC3)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)[N+]3(CCNCC3)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H18ClF3N3O2S/c1-31-20-17(18(29)13-3-2-6-27-16(13)19(20)30)28(9-7-26-8-10-28)12-4-5-15(22)14(11-12)21(23,24)25/h2-6,11,26H,7-10H2,1H3/q+1