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

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-p-cumenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C21H27F3N4O+2 MolecularWeight: 408.46049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O/c1-15(2)16-3-6-18(7-4-16)26-20(29)14-27-9-11-28(12-10-27)19-8-5-17(13-25-19)21(22,23)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,29)/p+2