1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-besyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C16H16ClF3N3O2S+ MolecularWeight: 406.83035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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