2-(2-methylpropanoylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: 2-(2-methylpropanoylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 2-(2-methylpropanoylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 2-[(2-methyl-1-oxopropyl)amino]ethyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 2-(2-methylpropanoylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[3-(trifluoromethyl)benzyl]ammonium Formula: C14H20F3N2O+ MolecularWeight: 289.31661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C14H19F3N2O/c1-10(2)13(20)19-7-6-18-9-11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,18H,6-7,9H2,1-2H3,(H,19,20)/p+1