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

Systemtic Name: N-(2-methylbutan-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylbutan-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylbutan-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-amyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26F3N4O+ MolecularWeight: 359.40975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H25F3N4O/c1-4-16(2,3)22-15(25)12-23-7-9-24(10-8-23)14-6-5-13(11-21-14)17(18,19)20/h5-6,11H,4,7-10,12H2,1-3H3,(H,22,25)/p+1