[(3S,4S)-3-(4-fluoranylphenoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(4-fluoranylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(4-fluorophenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(4-fluorophenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(4-fluorophenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(4-fluorophenoxy)-1-propyl-butyl]ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC=C(C=C1)F)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC=C(C=C1)F)[NH3+]

InChI

InChI=1S/C13H20FNO/c1-3-5-12(15)13(4-2)16-11-8-6-10(14)7-9-11/h6-9,12-13H,3-5,15H2,1-2H3/p+1/t12-,13-/m0/s1