1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]sulfonylphenyl]ethanone Formula: C18H19F3N3O3S+ MolecularWeight: 414.42197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O3S/c1-13(25)14-2-5-16(6-3-14)28(26,27)24-10-8-23(9-11-24)17-7-4-15(12-22-17)18(19,20)21/h2-7,12H,8-11H2,1H3/p+1