[(2S)-3-(2-chloranyl-4-fluoranyl-phenoxy)-2-oxidanyl-propyl]-propyl-azanium

Systemtic Name: [(2S)-3-(2-chloranyl-4-fluoranyl-phenoxy)-2-oxidanyl-propyl]-propyl-azanium Openeye Name: [(2S)-3-(2-chloro-4-fluoro-phenoxy)-2-hydroxy-propyl]-propyl-ammonium CAS Name: [(2S)-3-(2-chloro-4-fluorophenoxy)-2-hydroxypropyl]-propylammonium IUPAC Name: [(2S)-3-(2-chloro-4-fluorophenoxy)-2-hydroxypropyl]-propylazanium Traditional Name: [(2S)-3-(2-chloro-4-fluoro-phenoxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C12H18ClFNO2+ MolecularWeight: 262.728223

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=C(C=C(C=C1)F)Cl)O

Isomeric SMILES

CCC[NH2+]C[C@@H](COC1=C(C=C(C=C1)F)Cl)O

InChI

InChI=1S/C12H17ClFNO2/c1-2-5-15-7-10(16)8-17-12-4-3-9(14)6-11(12)13/h3-4,6,10,15-16H,2,5,7-8H2,1H3/p+1/t10-/m0/s1