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

Systemtic Name: bis[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: bis[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]ammonium CAS Name: bis[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: bis[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]azanium Traditional Name: bis[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]ammonium Formula: C18H22F2NO4+ MolecularWeight: 354.368386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(C[NH2+]CC(COC2=CC=C(C=C2)F)O)O)F

Isomeric SMILES

C1=CC(=CC=C1OC[C@@H](C[NH2+]C[C@H](COC2=CC=C(C=C2)F)O)O)F

InChI

InChI=1S/C18H21F2NO4/c19-13-1-5-17(6-2-13)24-11-15(22)9-21-10-16(23)12-25-18-7-3-14(20)4-8-18/h1-8,15-16,21-23H,9-12H2/p+1/t15-,16-/m1/s1