1-adamantyl-[(2R)-1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2R)-1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-1-methyl-2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-keto-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl]ammonium Formula: C20H26F3N2O2+ MolecularWeight: 383.42785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25F3N2O2/c1-12(25-19-9-13-6-14(10-19)8-15(7-13)11-19)18(26)24-16-2-4-17(5-3-16)27-20(21,22)23/h2-5,12-15,25H,6-11H2,1H3,(H,24,26)/p+1/t12-,13?,14?,15?,19?/m1/s1