1-adamantylmethyl-methyl-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]azanium

Systemtic Name: 1-adamantylmethyl-methyl-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]azanium Openeye Name: 1-adamantylmethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium CAS Name: 1-adamantylmethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium IUPAC Name: 1-adamantylmethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium Traditional Name: 1-adamantylmethyl-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]-methyl-ammonium Formula: C21H28F3N2O+ MolecularWeight: 381.45503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1C(F)(F)F)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1C(F)(F)F)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27F3N2O/c1-26(13-20-9-14-6-15(10-20)8-16(7-14)11-20)12-19(27)25-18-5-3-2-4-17(18)21(22,23)24/h2-5,14-16H,6-13H2,1H3,(H,25,27)/p+1