2-adamantyl-[(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]azanium

Systemtic Name: 2-adamantyl-[(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]azanium Openeye Name: 2-adamantyl-[(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]ammonium CAS Name: 2-adamantyl-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]ammonium IUPAC Name: 2-adamantyl-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium Traditional Name: 2-adamantyl-[(1R)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl]ammonium Formula: C20H26F3N2O+ MolecularWeight: 367.42845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)[NH2+]C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)[NH2+]C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H25F3N2O/c1-11(19(26)25-17-4-2-3-16(10-17)20(21,22)23)24-18-14-6-12-5-13(8-14)9-15(18)7-12/h2-4,10-15,18,24H,5-9H2,1H3,(H,25,26)/p+1/t11-,12?,13?,14?,15?,18?/m1/s1