N-(2-cyclopentylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C20H27F3N6O+2 MolecularWeight: 424.46319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25F3N6O/c21-20(22,23)15-5-6-17(24-13-15)28-11-9-27(10-12-28)14-19(30)26-18-7-8-25-29(18)16-3-1-2-4-16/h5-8,13,16H,1-4,9-12,14H2,(H,26,30)/p+2