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

Systemtic Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]sulfonylphenyl]acetamide Formula: C18H20F3N4O3S+ MolecularWeight: 429.43661

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O3S/c1-13(26)23-15-3-5-16(6-4-15)29(27,28)25-10-8-24(9-11-25)17-7-2-14(12-22-17)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)/p+1