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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Formula: C16H21ClF3N2O2S+ MolecularWeight: 397.86335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClF3N2O2S/c1-12(2)5-6-21-7-9-22(10-8-21)25(23,24)13-3-4-15(17)14(11-13)16(18,19)20/h3-5,11H,6-10H2,1-2H3/p+1