[(2S)-4-(2-chloranyl-4-fluoranyl-phenoxy)-2-(dimethylamino)butyl]azanium

Systemtic Name: [(2S)-4-(2-chloranyl-4-fluoranyl-phenoxy)-2-(dimethylamino)butyl]azanium Openeye Name: [(2S)-4-(2-chloro-4-fluoro-phenoxy)-2-(dimethylamino)butyl]ammonium CAS Name: [(2S)-4-(2-chloro-4-fluorophenoxy)-2-(dimethylamino)butyl]ammonium IUPAC Name: [(2S)-4-(2-chloro-4-fluorophenoxy)-2-(dimethylamino)butyl]azanium Traditional Name: [(2S)-4-(2-chloro-4-fluoro-phenoxy)-2-(dimethylamino)butyl]ammonium Formula: C12H19ClFN2O+ MolecularWeight: 261.743463

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CCOC1=C(C=C(C=C1)F)Cl)C[NH3+]

Isomeric SMILES

CN(C)[C@@H](CCOC1=C(C=C(C=C1)F)Cl)C[NH3+]

InChI

InChI=1S/C12H18ClFN2O/c1-16(2)10(8-15)5-6-17-12-4-3-9(14)7-11(12)13/h3-4,7,10H,5-6,8,15H2,1-2H3/p+1/t10-/m0/s1