[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-benzyl-(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-benzyl-(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-benzyl-(2-hydroxyethyl)ammonium Formula: C20H26NO4+ MolecularWeight: 344.42474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH+](CCO)CC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+](CCO)CC2=CC=CC=C2)O

InChI

InChI=1S/C20H25NO4/c1-16(23)18-7-9-20(10-8-18)25-15-19(24)14-21(11-12-22)13-17-5-3-2-4-6-17/h2-10,19,22,24H,11-15H2,1H3/p+1/t19-/m0/s1