bis[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: bis[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-bis[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]ammonium CAS Name: bis[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-bis[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]azanium Traditional Name: benzyl-bis[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]ammonium Formula: C25H28F2NO4+ MolecularWeight: 444.490926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC(COC2=CC=CC=C2F)O)CC(COC3=CC=CC=C3F)O

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](C[C@@H](COC2=CC=CC=C2F)O)C[C@@H](COC3=CC=CC=C3F)O

InChI

InChI=1S/C25H27F2NO4/c26-22-10-4-6-12-24(22)31-17-20(29)15-28(14-19-8-2-1-3-9-19)16-21(30)18-32-25-13-7-5-11-23(25)27/h1-13,20-21,29-30H,14-18H2/p+1/t20-,21-/m0/s1