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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(phenylmethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: [1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(phenylmethyl)-5-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: [1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C18H22F3N4O+ MolecularWeight: 367.38869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N4O/c1-2-23-8-10-24(11-9-23)17(26)15-12-22-25(16(15)18(19,20)21)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3/p+1