3-(4-ethylpiperazin-4-ium-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]-3-pyrroline-2,5-quinone Formula: C23H23F3N3O2S+ MolecularWeight: 462.50783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)SC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)SC4=CC=CC=C4

InChI

InChI=1S/C23H22F3N3O2S/c1-2-27-11-13-28(14-12-27)19-20(32-18-9-4-3-5-10-18)22(31)29(21(19)30)17-8-6-7-16(15-17)23(24,25)26/h3-10,15H,2,11-14H2,1H3/p+1