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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C17H19F3N5O3+ MolecularWeight: 398.35967

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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)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N5O3/c1-2-22-7-9-23(10-8-22)16(26)14-11-21-24(15(14)17(18,19)20)12-3-5-13(6-4-12)25(27)28/h3-6,11H,2,7-10H2,1H3/p+1