[(2S)-3-[3,4-bis(fluoranyl)phenoxy]-2-oxidanyl-propyl]-propyl-azanium

Systemtic Name: [(2S)-3-[3,4-bis(fluoranyl)phenoxy]-2-oxidanyl-propyl]-propyl-azanium Openeye Name: [(2S)-3-(3,4-difluorophenoxy)-2-hydroxy-propyl]-propyl-ammonium CAS Name: [(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-propylammonium IUPAC Name: [(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-propylazanium Traditional Name: [(2S)-3-(3,4-difluorophenoxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C12H18F2NO2+ MolecularWeight: 246.273626

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=CC(=C(C=C1)F)F)O

Isomeric SMILES

CCC[NH2+]C[C@@H](COC1=CC(=C(C=C1)F)F)O

InChI

InChI=1S/C12H17F2NO2/c1-2-5-15-7-9(16)8-17-10-3-4-11(13)12(14)6-10/h3-4,6,9,15-16H,2,5,7-8H2,1H3/p+1/t9-/m0/s1