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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(4-methoxyphenyl)-5-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C18H22F3N4O2+ MolecularWeight: 383.38809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N4O2/c1-3-23-8-10-24(11-9-23)17(26)15-12-22-25(16(15)18(19,20)21)13-4-6-14(27-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3/p+1