(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(2-chloro-6-fluoro-phenyl)methyl]-cyclopropyl-ammonium CAS Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2-chloro-6-fluorophenyl)methyl]-cyclopropylammonium IUPAC Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2-chloro-6-fluorophenyl)methyl]-cyclopropylazanium Traditional Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(2-chloro-6-fluoro-benzyl)-cyclopropyl-ammonium Formula: C22H26ClFNO4+ MolecularWeight: 422.897543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH+](CC2=C(C=CC=C2Cl)F)C3CC3)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@@H](C[NH+](CC2=C(C=CC=C2Cl)F)C3CC3)O)OC

InChI

InChI=1S/C22H25ClFNO4/c1-14(26)15-6-9-21(22(10-15)28-2)29-13-17(27)11-25(16-7-8-16)12-18-19(23)4-3-5-20(18)24/h3-6,9-10,16-17,27H,7-8,11-13H2,1-2H3/p+1/t17-/m1/s1