(2R)-2-piperazin-4-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanenitrile

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanenitrile Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-[4-(trifluoromethylthio)phenyl]acetonitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile Traditional Name: (2R)-2-piperazin-4-ium-1-yl-2-[4-(trifluoromethylthio)phenyl]acetonitrile Formula: C13H15F3N3S+ MolecularWeight: 302.33851

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C13H14F3N3S/c14-13(15,16)20-11-3-1-10(2-4-11)12(9-17)19-7-5-18-6-8-19/h1-4,12,18H,5-8H2/p+1/t12-/m0/s1