2-(3,5-dimethylphenoxy)ethyl-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-[2-(3,5-dimethylphenoxy)ethyl]-methyl-ammonium CAS Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-[2-(3,5-dimethylphenoxy)ethyl]-methylammonium IUPAC Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-[2-(3,5-dimethylphenoxy)ethyl]-methylazanium Traditional Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-[2-(3,5-dimethylphenoxy)ethyl]-methyl-ammonium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+](C)CC(COC2=CC=CC(=C2)C(=O)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+](C)C[C@@H](COC2=CC=CC(=C2)C(=O)C)O)C

InChI

InChI=1S/C22H29NO4/c1-16-10-17(2)12-22(11-16)26-9-8-23(4)14-20(25)15-27-21-7-5-6-19(13-21)18(3)24/h5-7,10-13,20,25H,8-9,14-15H2,1-4H3/p+1/t20-/m0/s1