3-methyl-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]sulfonyl-quinoline Formula: C22H23F3N3O2S+ MolecularWeight: 450.49713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O2S/c1-16-12-18-5-3-7-20(21(18)26-14-16)31(29,30)28-10-8-27(9-11-28)15-17-4-2-6-19(13-17)22(23,24)25/h2-7,12-14H,8-11,15H2,1H3/p+1