[4-[bis(fluoranyl)methoxy]phenyl]methyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium

Systemtic Name: [4-[bis(fluoranyl)methoxy]phenyl]methyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methyl-ammonium CAS Name: [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-[4-(difluoromethoxy)benzyl]-methyl-ammonium Formula: C21H25F2N2O3+ MolecularWeight: 391.431606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OC(F)F

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C21H24F2N2O3/c1-15(26)19(12-16-6-4-3-5-7-16)24-20(27)14-25(2)13-17-8-10-18(11-9-17)28-21(22)23/h3-11,19,21H,12-14H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1