4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-[4-(3-bromophenyl)sulfonylpiperazino]-2-(trifluoromethyl)quinolin-1-ium Formula: C20H18BrF3N3O2S+ MolecularWeight: 501.34003

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrF3N3O2S/c21-14-4-3-5-15(12-14)30(28,29)27-10-8-26(9-11-27)18-13-19(20(22,23)24)25-17-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2/p+1