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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C17H19F3N3O3S+ MolecularWeight: 402.41127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O3S/c1-26-14-3-5-15(6-4-14)27(24,25)23-10-8-22(9-11-23)16-7-2-13(12-21-16)17(18,19)20/h2-7,12H,8-11H2,1H3/p+1