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

Systemtic Name: [(2S)-3-(4-acetamidophenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-benzyl-(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-benzyl-(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-benzyl-(2-hydroxyethyl)ammonium Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[NH+](CCO)CC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH+](CCO)CC2=CC=CC=C2)O

InChI

InChI=1S/C20H26N2O4/c1-16(24)21-18-7-9-20(10-8-18)26-15-19(25)14-22(11-12-23)13-17-5-3-2-4-6-17/h2-10,19,23,25H,11-15H2,1H3,(H,21,24)/p+1/t19-/m0/s1