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

Systemtic Name: 1-(3-methylbut-2-enyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(3-methylbut-2-enyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(3-methylbut-2-enyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(3-methylbut-2-enyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbut-2-enyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C16H22F3N2O2S+ MolecularWeight: 363.41829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N2O2S/c1-13(2)6-7-20-8-10-21(11-9-20)24(22,23)15-5-3-4-14(12-15)16(17,18)19/h3-6,12H,7-11H2,1-2H3/p+1