[3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)pyridin-2-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)pyridin-2-yl]-(4-nitrophenyl)methanone Openeye Name: [3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-2-pyridyl]-(4-nitrophenyl)methanone CAS Name: [3-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methanone IUPAC Name: [3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)pyridin-2-yl]-(4-nitrophenyl)methanone Traditional Name: [3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-2-pyridyl]-(4-nitrophenyl)methanone Formula: C18H18F3N4O3+ MolecularWeight: 395.35573

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O3/c1-23-6-8-24(9-7-23)15-10-13(18(19,20)21)11-22-16(15)17(26)12-2-4-14(5-3-12)25(27)28/h2-5,10-11H,6-9H2,1H3/p+1