1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C17H18ClF3N3O2S+ MolecularWeight: 420.85693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H17ClF3N3O2S/c18-16-5-4-14(11-15(16)17(19,20)21)27(25,26)24-9-7-23(8-10-24)12-13-3-1-2-6-22-13/h1-6,11H,7-10,12H2/p+1