[(2S)-2-oxidanyl-3-[5-oxidanyl-2-(3-phenylpropanoyl)phenoxy]propyl]-propyl-azanium

Systemtic Name: [(2S)-2-oxidanyl-3-[5-oxidanyl-2-(3-phenylpropanoyl)phenoxy]propyl]-propyl-azanium Openeye Name: [(2S)-2-hydroxy-3-[5-hydroxy-2-(3-phenylpropanoyl)phenoxy]propyl]-propyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[5-hydroxy-2-(1-oxo-3-phenylpropyl)phenoxy]propyl]-propylammonium IUPAC Name: [(2S)-2-hydroxy-3-[5-hydroxy-2-(3-phenylpropanoyl)phenoxy]propyl]-propylazanium Traditional Name: [(2S)-3-(2-hydrocinnamoyl-5-hydroxy-phenoxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=C(C=CC(=C1)O)C(=O)CCC2=CC=CC=C2)O

Isomeric SMILES

CCC[NH2+]C[C@@H](COC1=C(C=CC(=C1)O)C(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-13-17(23)9-10-19(21)20(25)11-8-16-6-4-3-5-7-16/h3-7,9-10,13,18,22-24H,2,8,11-12,14-15H2,1H3/p+1/t18-/m0/s1