2-methyl-N-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide

Systemtic Name: 2-methyl-N-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide Openeye Name: 2-methyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide CAS Name: 2-methyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]propyl]benzamide IUPAC Name: 2-methyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide Traditional Name: N-[3-keto-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propyl]-2-methyl-benzamide Formula: C21H24F3N4O2+ MolecularWeight: 421.43607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O2/c1-15-4-2-3-5-17(15)20(30)25-9-8-19(29)28-12-10-27(11-13-28)18-7-6-16(14-26-18)21(22,23)24/h2-7,14H,8-13H2,1H3,(H,25,30)/p+1