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

Systemtic Name: 1-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(p-tolyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(p-tolyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanone Formula: C19H22F3N3O+2 MolecularWeight: 365.39269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O/c1-14-2-4-15(5-3-14)17(26)13-24-8-10-25(11-9-24)18-7-6-16(12-23-18)19(20,21)22/h2-7,12H,8-11,13H2,1H3/p+2