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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O/c1-22-7-9-23(10-8-22)16(25)14-11-21-24(15(14)17(18,19)20)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1