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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(2,4-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2,4-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine Formula: C18H20ClF3N3O2S+ MolecularWeight: 434.88351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl)C

InChI

InChI=1S/C18H19ClF3N3O2S/c1-12-3-4-16(13(2)9-12)28(26,27)25-7-5-24(6-8-25)17-15(19)10-14(11-23-17)18(20,21)22/h3-4,9-11H,5-8H2,1-2H3/p+1