4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazino]-2-(trifluoromethyl)quinolin-1-ium Formula: C20H18ClF3N3O2S+ MolecularWeight: 456.88903

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3N3O2S/c21-14-5-7-15(8-6-14)30(28,29)27-11-9-26(10-12-27)18-13-19(20(22,23)24)25-17-4-2-1-3-16(17)18/h1-8,13H,9-12H2/p+1