(4-tert-butylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C21H25F3N3O+ MolecularWeight: 392.43791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O/c1-20(2,3)16-8-6-15(7-9-16)19(28)27-13-11-26(12-14-27)18-17(21(22,23)24)5-4-10-25-18/h4-10H,11-14H2,1-3H3/p+1