N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-(trifluoromethyl)benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-4-(trifluoromethyl)benzamide Formula: C20H22F3N4O2+ MolecularWeight: 407.40949

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O2/c1-14(28)26-9-11-27(12-10-26)18-16(3-2-8-24-18)13-25-19(29)15-4-6-17(7-5-15)20(21,22)23/h2-8H,9-13H2,1H3,(H,25,29)/p+1