[4-[bis(fluoranyl)methoxy]phenyl]methyl-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: [4-[bis(fluoranyl)methoxy]phenyl]methyl-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [4-(difluoromethoxy)phenyl]methyl-[(1S)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [4-(difluoromethoxy)phenyl]methyl-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: [4-(difluoromethoxy)phenyl]methyl-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [4-(difluoromethoxy)benzyl]-[(1S)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H25F2N2O4+ MolecularWeight: 395.420306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24F2N2O4/c1-13(19(25)23-15-7-10-17(26-3)18(11-15)27-4)24(2)12-14-5-8-16(9-6-14)28-20(21)22/h5-11,13,20H,12H2,1-4H3,(H,23,25)/p+1/t13-/m0/s1