N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C25H27F3N5O+ MolecularWeight: 470.50999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C25H26F3N5O/c26-25(27,28)19-5-4-8-21(15-19)32-13-11-31(12-14-32)17-24(34)29-23-16-22(18-9-10-18)30-33(23)20-6-2-1-3-7-20/h1-8,15-16,18H,9-14,17H2,(H,29,34)/p+1