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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium Formula: C18H20ClF3N3O2S+ MolecularWeight: 434.88351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H19ClF3N3O2S/c19-17-2-1-15(13-16(17)18(20,21)22)28(26,27)25-11-9-24(10-12-25)8-5-14-3-6-23-7-4-14/h1-4,6-7,13H,5,8-12H2/p+1