3-tert-butylsulfanyl-1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-tert-butylsulfanyl-1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-tert-butylsulfanyl-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-(tert-butylthio)-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-tert-butylsulfanyl-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-(tert-butylthio)-1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propan-1-one Formula: C17H24ClF3N3OS+ MolecularWeight: 410.90517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCC(=O)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)SCCC(=O)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C17H23ClF3N3OS/c1-16(2,3)26-9-4-14(25)23-5-7-24(8-6-23)15-13(18)10-12(11-22-15)17(19,20)21/h10-11H,4-9H2,1-3H3/p+1