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

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-p-phenetylsulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C18H21F3N3O3S+ MolecularWeight: 416.43785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O3S/c1-2-27-15-4-6-16(7-5-15)28(25,26)24-11-9-23(10-12-24)17-8-3-14(13-22-17)18(19,20)21/h3-8,13H,2,9-12H2,1H3/p+1