[(2S)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [(2S)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [(1S)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [(1S)-2-(2,5-difluoroanilino)-2-keto-1-methyl-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C21H21F2N2O+ MolecularWeight: 355.401046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)F)F)[NH+](C)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)[NH+](C)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20F2N2O/c1-14(21(26)24-20-12-18(22)9-10-19(20)23)25(2)13-15-7-8-16-5-3-4-6-17(16)11-15/h3-12,14H,13H2,1-2H3,(H,24,26)/p+1/t14-/m0/s1