[(2S,3R)-3-(2-fluoranyl-6-oxidanyl-phenoxy)-1,4-bis(phenylmethoxy)butan-2-yl]oxymethylidene-dimethyl-azanium chloride

Systemtic Name: [(2S,3R)-3-(2-fluoranyl-6-oxidanyl-phenoxy)-1,4-bis(phenylmethoxy)butan-2-yl]oxymethylidene-dimethyl-azanium chloride Openeye Name: [(1S,2R)-3-benzyloxy-1-(benzyloxymethyl)-2-(2-fluoro-6-hydroxy-phenoxy)propoxy]methylene-dimethyl-ammonium chloride CAS Name: [(2S,3R)-3-(2-fluoro-6-hydroxyphenoxy)-1,4-bis(phenylmethoxy)butan-2-yl]oxymethylidene-dimethylammonium chloride IUPAC Name: [(2S,3R)-3-(2-fluoro-6-hydroxyphenoxy)-1,4-bis(phenylmethoxy)butan-2-yl]oxymethylidene-dimethylazanium chloride Traditional Name: [(1S,2R)-3-benzoxy-1-(benzoxymethyl)-2-(2-fluoro-6-hydroxy-phenoxy)propoxy]methylene-dimethyl-ammonium chloride Formula: C27H31ClFNO5 MolecularWeight: 503.990143

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=COC(COCC1=CC=CC=C1)C(COCC2=CC=CC=C2)OC3=C(C=CC=C3F)O)C.[Cl-]

Isomeric SMILES

C[N+](=CO[C@@H](COCC1=CC=CC=C1)[C@@H](COCC2=CC=CC=C2)OC3=C(C=CC=C3F)O)C.[Cl-]

InChI

InChI=1S/C27H30FNO5.ClH/c1-29(2)20-33-25(18-31-16-21-10-5-3-6-11-21)26(19-32-17-22-12-7-4-8-13-22)34-27-23(28)14-9-15-24(27)30;/h3-15,20,25-26H,16-19H2,1-2H3;1H/t25-,26+;/m0./s1