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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N4O/c1-3-23-8-10-24(11-9-23)17(26)15-12-22-25(16(15)18(19,20)21)14-6-4-13(2)5-7-14/h4-7,12H,3,8-11H2,1-2H3/p+1