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

Systemtic Name: (3-chlorophenyl)methyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(3-chlorophenyl)methyl]-methyl-ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(3-chlorophenyl)methyl]-methylammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(3-chlorophenyl)methyl]-methylazanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(3-chlorobenzyl)-methyl-ammonium Formula: C19H23ClNO3+ MolecularWeight: 348.84382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3/c1-14(22)16-6-8-19(9-7-16)24-13-18(23)12-21(2)11-15-4-3-5-17(20)10-15/h3-10,18,23H,11-13H2,1-2H3/p+1/t18-/m0/s1