1-(3-methylbut-2-enyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(3-methylbut-2-enyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(3-methylbut-2-enyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(3-methylbut-2-enyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(3-methylbut-2-enyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbut-2-enyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-ium Formula: C16H22F3N2O3S+ MolecularWeight: 379.41769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N2O3S/c1-13(2)7-8-20-9-11-21(12-10-20)25(22,23)15-5-3-14(4-6-15)24-16(17,18)19/h3-7H,8-12H2,1-2H3/p+1