1-(4-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(4-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-brosyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C16H16BrF3N3O2S+ MolecularWeight: 451.28135

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrF3N3O2S/c17-13-2-4-14(5-3-13)26(24,25)23-9-7-22(8-10-23)15-6-1-12(11-21-15)16(18,19)20/h1-6,11H,7-10H2/p+1