cyclopentyl-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-dimethyl-azanium

Systemtic Name: cyclopentyl-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-dimethyl-azanium Openeye Name: cyclopentyl-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-dimethyl-ammonium CAS Name: cyclopentyl-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-dimethylammonium IUPAC Name: cyclopentyl-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-dimethylazanium Traditional Name: cyclopentyl-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-dimethyl-ammonium Formula: C22H27FNO2+ MolecularWeight: 356.453683

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

C[N+](C)(CC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C22H27FNO2/c1-24(2,20-10-6-7-11-20)14-17-12-19(23)13-18-15-25-22(26-21(17)18)16-8-4-3-5-9-16/h3-5,8-9,12-13,20,22H,6-7,10-11,14-15H2,1-2H3/q+1/t22-/m0/s1