4-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 4-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-(4-methylsulfonyl-1-piperazinyl)-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-(4-mesylpiperazino)-2-(trifluoromethyl)quinolin-1-ium Formula: C15H17F3N3O2S+ MolecularWeight: 360.37459

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C15H16F3N3O2S/c1-24(22,23)21-8-6-20(7-9-21)13-10-14(15(16,17)18)19-12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3/p+1