(3S)-3-[[3,4-bis(fluoranyl)phenoxy]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[[3,4-bis(fluoranyl)phenoxy]methyl]piperidin-1-ium Openeye Name: (3S)-3-[(3,4-difluorophenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(3,4-difluorophenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(3,4-difluorophenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(3,4-difluorophenoxy)methyl]piperidin-1-ium Formula: C12H16F2NO+ MolecularWeight: 228.258346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)COC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)COC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H15F2NO/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/p+1/t9-/m0/s1