[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]-[(1R)-1-phenylethyl]ammonium Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-3-20(23)17-9-11-19(12-10-17)24-14-18(22)13-21-15(2)16-7-5-4-6-8-16/h4-12,15,18,21-22H,3,13-14H2,1-2H3/p+1/t15-,18+/m1/s1