4-methyl-2-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 4-methyl-2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 4-methyl-2-[[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 4-methyl-2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C21H22F3N4O4S+ MolecularWeight: 483.48399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C21H21F3N4O4S/c1-15-18-4-2-3-5-19(18)20(29)28(25-15)14-26-10-12-27(13-11-26)33(30,31)17-8-6-16(7-9-17)32-21(22,23)24/h2-9H,10-14H2,1H3/p+1