[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-benzyl-(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-benzyl-(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-benzyl-(2-hydroxyethyl)ammonium Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-16(24)18-8-9-20(21(12-18)26-2)27-15-19(25)14-22(10-11-23)13-17-6-4-3-5-7-17/h3-9,12,19,23,25H,10-11,13-15H2,1-2H3/p+1/t19-/m0/s1