[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: [1-(2-methylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C17H20F3N4O+ MolecularWeight: 353.36211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CC[NH+](CC3)C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CC[NH+](CC3)C)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O/c1-12-5-3-4-6-14(12)24-15(17(18,19)20)13(11-21-24)16(25)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3/p+1