1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C16H16ClF3N3O2S+ MolecularWeight: 406.83035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H15ClF3N3O2S/c17-14-5-4-12(11-13(14)16(18,19)20)26(24,25)23-9-7-22(8-10-23)15-3-1-2-6-21-15/h1-6,11H,7-10H2/p+1