1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phthalazin-3-ium

Systemtic Name: 1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phthalazin-3-ium Openeye Name: 1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phthalazin-3-ium CAS Name: 1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]phthalazin-3-ium IUPAC Name: 1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phthalazin-3-ium Traditional Name: 1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phthalazin-3-ium Formula: C25H22F3N4+ MolecularWeight: 435.46419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H21F3N4/c26-25(27,28)19-9-6-10-20(17-19)31-13-15-32(16-14-31)24-22-12-5-4-11-21(22)23(29-30-24)18-7-2-1-3-8-18/h1-12,17H,13-16H2/p+1