6-methyl-4-[4-[2-(4-methylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 6-methyl-4-[4-[2-(4-methylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 6-methyl-4-[4-[2-(p-tolylsulfonyl)ethyl]piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium CAS Name: 6-methyl-4-[4-[2-(4-methylphenyl)sulfonylethyl]-1-piperazin-4-iumyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 6-methyl-4-[4-[2-(4-methylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 6-methyl-4-[4-(2-tosylethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium Formula: C24H28F3N3O2S+2 MolecularWeight: 479.55823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC(=[NH+]C4=C3C=C(C=C4)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC(=[NH+]C4=C3C=C(C=C4)C)C(F)(F)F

InChI

InChI=1S/C24H26F3N3O2S/c1-17-3-6-19(7-4-17)33(31,32)14-13-29-9-11-30(12-10-29)22-16-23(24(25,26)27)28-21-8-5-18(2)15-20(21)22/h3-8,15-16H,9-14H2,1-2H3/p+2