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

Systemtic Name: 6-methyl-4-[4-[2-(phenylsulfonyl)ethyl]piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-[4-[2-(benzenesulfonyl)ethyl]piperazin-4-ium-1-yl]-6-methyl-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-[4-[2-(benzenesulfonyl)ethyl]-1-piperazin-4-iumyl]-6-methyl-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-[4-[2-(benzenesulfonyl)ethyl]piperazin-4-ium-1-yl]-6-methyl-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-[4-(2-besylethyl)piperazin-4-ium-1-yl]-6-methyl-2-(trifluoromethyl)quinolin-1-ium Formula: C23H26F3N3O2S+2 MolecularWeight: 465.53165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CC[NH+](CC3)CCS(=O)(=O)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CC[NH+](CC3)CCS(=O)(=O)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H24F3N3O2S/c1-17-7-8-20-19(15-17)21(16-22(27-20)23(24,25)26)29-11-9-28(10-12-29)13-14-32(30,31)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3/p+2