6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(4-ethylpiperazin-4-ium-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(4-ethylpiperazin-4-ium-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H23F3N3O3+ MolecularWeight: 482.47433

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H22F3N3O3/c1-2-30-11-13-31(14-12-30)23(33)19-9-10-21-22-18(19)7-4-8-20(22)24(34)32(25(21)35)17-6-3-5-16(15-17)26(27,28)29/h3-10,15H,2,11-14H2,1H3/p+1