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

Systemtic Name: bis[2-(6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)-2-oxidanyl-ethyl]azanium chloride Openeye Name: bis[2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]ammonium chloride CAS Name: bis[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]ammonium chloride IUPAC Name: bis[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]azanium chloride Traditional Name: bis[2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]ammonium chloride Formula: C22H26ClF2NO4 MolecularWeight: 441.895946

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2NO4.ClH/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;1H