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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-tosyl-piperazine Formula: C17H18ClF3N3O2S+ MolecularWeight: 420.85693

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClF3N3O2S/c1-12-2-4-14(5-3-12)27(25,26)24-8-6-23(7-9-24)16-15(18)10-13(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3/p+1