[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone Openeye Name: [4-(8-quinolylmethyl)piperazin-4-ium-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone CAS Name: [4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]-[4-(trifluoromethylthio)phenyl]methanone IUPAC Name: [4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone Traditional Name: [4-(8-quinolylmethyl)piperazin-4-ium-1-yl]-[4-(trifluoromethylthio)phenyl]methanone Formula: C22H21F3N3OS+ MolecularWeight: 432.48185

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC=C(C=C4)SC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC=C(C=C4)SC(F)(F)F

InChI

InChI=1S/C22H20F3N3OS/c23-22(24,25)30-19-8-6-17(7-9-19)21(29)28-13-11-27(12-14-28)15-18-4-1-3-16-5-2-10-26-20(16)18/h1-10H,11-15H2/p+1