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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-chlorophenyl)sulfonyl-piperazine Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C16H15Cl2F3N3O2S+ MolecularWeight: 441.27541

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2F3N3O2S/c17-12-1-3-13(4-2-12)27(25,26)24-7-5-23(6-8-24)15-14(18)9-11(10-22-15)16(19,20)21/h1-4,9-10H,5-8H2/p+1