1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Traditional Name: 1-[2-chloro-5-(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=C(C=CC(=C2)C(F)(F)F)Cl)C

Isomeric SMILES

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

InChI

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