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

Systemtic Name: 3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Openeye Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione CAS Name: 3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione IUPAC Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]-3-pyrroline-2,5-quinone Formula: C17H18ClF3N3O2+ MolecularWeight: 388.79193

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClF3N3O2/c1-2-22-6-8-23(9-7-22)14-13(18)15(25)24(16(14)26)12-5-3-4-11(10-12)17(19,20)21/h3-5,10H,2,6-9H2,1H3/p+1