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

Systemtic Name: [(2R)-2-oxidanyl-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propyl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-(1-oxo-3-phenylpropyl)phenoxy]propyl]-propylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propylazanium Traditional Name: [(2R)-3-(2-hydrocinnamoylphenoxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

Isomeric SMILES

CCC[NH2+]C[C@H](COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/p+1/t18-/m1/s1