1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C17H18ClF3N3O3S+ MolecularWeight: 436.85633

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H17ClF3N3O3S/c1-23-6-8-24(9-7-23)28(25,26)14-4-2-13(3-5-14)27-16-15(18)10-12(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3/p+1