bis[(2R)-2-[(2S)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-oxidanyl-ethyl]azanium

Systemtic Name: bis[(2R)-2-[(2S)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-oxidanyl-ethyl]azanium Openeye Name: bis[(2R)-2-[(2S)-6-fluorochroman-2-yl]-2-hydroxy-ethyl]ammonium CAS Name: bis[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]ammonium IUPAC Name: bis[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]azanium Traditional Name: bis[(2R)-2-[(2S)-6-fluorochroman-2-yl]-2-hydroxy-ethyl]ammonium Formula: C22H26F2NO4+ MolecularWeight: 406.442946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)F)OC1C(C[NH2+]CC(C3CCC4=C(O3)C=CC(=C4)F)O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)F)O[C@@H]1[C@@H](C[NH2+]C[C@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O

InChI

InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/p+1/t17-,18-,21+,22+/m1/s1