[(1S)-1-[2-(1,3-benzodioxol-5-ylmethoxy)-6-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(1,3-benzodioxol-5-ylmethoxy)-6-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(1,3-benzodioxol-5-ylmethoxy)-6-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(1,3-benzodioxol-5-ylmethoxy)-6-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(1,3-benzodioxol-5-ylmethoxy)-6-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-(2-fluoro-6-piperonyloxy-phenyl)ethyl]ammonium Formula: C16H17FNO3+ MolecularWeight: 290.309483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1F)OCC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](C1=C(C=CC=C1F)OCC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C16H16FNO3/c1-10(18)16-12(17)3-2-4-14(16)19-8-11-5-6-13-15(7-11)21-9-20-13/h2-7,10H,8-9,18H2,1H3/p+1/t10-/m0/s1