bis[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: bis[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-bis[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]ammonium CAS Name: bis[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-bis[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]azanium Traditional Name: benzyl-bis[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]ammonium Formula: C25H28F2NO4+ MolecularWeight: 444.490926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC(COC2=CC=C(C=C2)F)O)CC(COC3=CC=C(C=C3)F)O

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](C[C@H](COC2=CC=C(C=C2)F)O)C[C@H](COC3=CC=C(C=C3)F)O

InChI

InChI=1S/C25H27F2NO4/c26-20-6-10-24(11-7-20)31-17-22(29)15-28(14-19-4-2-1-3-5-19)16-23(30)18-32-25-12-8-21(27)9-13-25/h1-13,22-23,29-30H,14-18H2/p+1/t22-,23-/m1/s1