[(1S)-1-[2-(3,4-dimethylphenoxy)-5-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(3,4-dimethylphenoxy)-5-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(3,4-dimethylphenoxy)-5-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(3,4-dimethylphenoxy)-5-fluoro-phenyl]ethyl]ammonium Formula: C16H19FNO+ MolecularWeight: 260.326563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)F)C(C)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)F)[C@H](C)[NH3+])C

InChI

InChI=1S/C16H18FNO/c1-10-4-6-14(8-11(10)2)19-16-7-5-13(17)9-15(16)12(3)18/h4-9,12H,18H2,1-3H3/p+1/t12-/m0/s1