4-[4-(phenylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-(4-besylpiperazino)-2-(trifluoromethyl)quinolin-1-ium Formula: C20H19F3N3O2S+ MolecularWeight: 422.44397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18F3N3O2S/c21-20(22,23)19-14-18(16-8-4-5-9-17(16)24-19)25-10-12-26(13-11-25)29(27,28)15-6-2-1-3-7-15/h1-9,14H,10-13H2/p+1