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

Systemtic Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]acetamide CAS Name: N-[4-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]acetamide Formula: C19H20F3N4O2+ MolecularWeight: 393.38291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4O2/c1-13(27)24-16-5-2-14(3-6-16)18(28)26-10-8-25(9-11-26)17-7-4-15(12-23-17)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,24,27)/p+1