2-(4-bromanylphenoxy)ethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[2-(4-bromophenoxy)ethyl]-methyl-ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[2-(4-bromophenoxy)ethyl]-methylammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[2-(4-bromophenoxy)ethyl]-methylazanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[2-(4-bromophenoxy)ethyl]-methyl-ammonium Formula: C20H25BrNO4+ MolecularWeight: 423.3208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH+](C)CCOC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+](C)CCOC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C20H24BrNO4/c1-15(23)16-3-7-20(8-4-16)26-14-18(24)13-22(2)11-12-25-19-9-5-17(21)6-10-19/h3-10,18,24H,11-14H2,1-2H3/p+1/t18-/m0/s1