3-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C14H16ClF3N3O2S+ MolecularWeight: 382.80895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C14H15ClF3N3O2S/c15-13-3-2-11(10-12(13)14(16,17)18)24(22,23)21-8-6-20(7-9-21)5-1-4-19/h2-3,10H,1,5-9H2/p+1