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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C21H27F3N5O+ MolecularWeight: 422.46719

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O/c22-21(23,24)16-4-3-7-18(14-16)28-12-10-27(11-13-28)15-20(30)26-19-8-9-25-29(19)17-5-1-2-6-17/h3-4,7-9,14,17H,1-2,5-6,10-13,15H2,(H,26,30)/p+1