[(1S)-1-[2-fluoranyl-6-(3-methylbutoxy)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-fluoranyl-6-(3-methylbutoxy)phenyl]ethyl]azanium Openeye Name: [(1S)-1-(2-fluoro-6-isopentyloxy-phenyl)ethyl]ammonium CAS Name: [(1S)-1-[2-fluoro-6-(3-methylbutoxy)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-fluoro-6-(3-methylbutoxy)phenyl]ethyl]azanium Traditional Name: [(1S)-1-(2-fluoro-6-isoamoxy-phenyl)ethyl]ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C(=CC=C1)F)C(C)[NH3+]

Isomeric SMILES

C[C@@H](C1=C(C=CC=C1F)OCCC(C)C)[NH3+]

InChI

InChI=1S/C13H20FNO/c1-9(2)7-8-16-12-6-4-5-11(14)13(12)10(3)15/h4-6,9-10H,7-8,15H2,1-3H3/p+1/t10-/m0/s1