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

Systemtic Name: (3,4-dichlorophenyl)methyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(3,4-dichlorophenyl)methyl]-methyl-ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(3,4-dichlorophenyl)methyl]-methylammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(3,4-dichlorophenyl)methyl]-methylazanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(3,4-dichlorobenzyl)-methyl-ammonium Formula: C19H22Cl2NO3+ MolecularWeight: 383.28888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2NO3/c1-13(23)15-4-6-17(7-5-15)25-12-16(24)11-22(2)10-14-3-8-18(20)19(21)9-14/h3-9,16,24H,10-12H2,1-2H3/p+1/t16-/m0/s1