(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-methyl-ammonium Formula: C23H24ClFNO2+ MolecularWeight: 400.893563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H23ClFNO2/c1-26(15-21-22(24)8-5-9-23(21)25)14-19(27)16-28-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-13,19,27H,14-16H2,1H3/p+1/t19-/m0/s1