4-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C15H19F3N3O3S+ MolecularWeight: 378.38987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3N3O3S/c16-15(17,18)24-13-3-5-14(6-4-13)25(22,23)21-11-9-20(10-12-21)8-2-1-7-19/h3-6H,1-2,8-12H2/p+1