[(2R)-3-(2-ethanoylphenoxy)-2-oxidanyl-propyl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-3-(2-ethanoylphenoxy)-2-oxidanyl-propyl]-phenethyl-(phenylmethyl)azanium Openeye Name: [(2R)-3-(2-acetylphenoxy)-2-hydroxy-propyl]-benzyl-phenethyl-ammonium CAS Name: [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-benzyl-phenethylazanium Traditional Name: [(2R)-3-(2-acetylphenoxy)-2-hydroxy-propyl]-benzyl-phenethyl-ammonium Formula: C26H30NO3+ MolecularWeight: 404.5213

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC[C@@H](C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO3/c1-21(28)25-14-8-9-15-26(25)30-20-24(29)19-27(18-23-12-6-3-7-13-23)17-16-22-10-4-2-5-11-22/h2-15,24,29H,16-20H2,1H3/p+1/t24-/m1/s1