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

Systemtic Name: 2-(4-chlorophenyl)ethyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium Openeye Name: 2-(4-chlorophenyl)ethyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]ammonium CAS Name: 2-(4-chlorophenyl)ethyl-[(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]ammonium IUPAC Name: 2-(4-chlorophenyl)ethyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]azanium Traditional Name: 2-(4-chlorophenyl)ethyl-[(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]ammonium Formula: C20H25ClNO3+ MolecularWeight: 362.8704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3/c1-2-20(24)16-5-9-19(10-6-16)25-14-18(23)13-22-12-11-15-3-7-17(21)8-4-15/h3-10,18,22-23H,2,11-14H2,1H3/p+1/t18-/m0/s1