7-chloranyl-4-[4-[2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-[2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-[2-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazino]quinolin-1-ium Formula: C20H18ClF3N3O3S+ MolecularWeight: 472.88843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)S(=O)(=O)C4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)S(=O)(=O)C4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C20H17ClF3N3O3S/c21-14-5-6-15-16(13-14)25-8-7-17(15)26-9-11-27(12-10-26)31(28,29)19-4-2-1-3-18(19)30-20(22,23)24/h1-8,13H,9-12H2/p+1