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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(C[NH2+]CCC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@H](C[NH2+]CCC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C19H22ClNO3/c1-14(22)16-3-2-4-19(11-16)24-13-18(23)12-21-10-9-15-5-7-17(20)8-6-15/h2-8,11,18,21,23H,9-10,12-13H2,1H3/p+1/t18-/m0/s1