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

Systemtic Name: tert-butyl-[(2R)-2-oxidanyl-3-[2-(3-phenylpropanoyl)phenoxy]propyl]azanium Openeye Name: tert-butyl-[(2R)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]ammonium CAS Name: tert-butyl-[(2R)-2-hydroxy-3-[2-(1-oxo-3-phenylpropyl)phenoxy]propyl]ammonium IUPAC Name: tert-butyl-[(2R)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]azanium Traditional Name: tert-butyl-[(2R)-3-(2-hydrocinnamoylphenoxy)-2-hydroxy-propyl]ammonium Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-22(2,3)23-15-18(24)16-26-21-12-8-7-11-19(21)20(25)14-13-17-9-5-4-6-10-17/h4-12,18,23-24H,13-16H2,1-3H3/p+1/t18-/m1/s1