tert-butyl-[2-oxidanyl-3-[4-(3-oxidanylidenebut-1-en-2-yloxy)phenoxy]propyl]azanium bromide

Systemtic Name: tert-butyl-[2-oxidanyl-3-[4-(3-oxidanylidenebut-1-en-2-yloxy)phenoxy]propyl]azanium bromide Openeye Name: tert-butyl-[2-hydroxy-3-[4-(1-methylene-2-oxo-propoxy)phenoxy]propyl]ammonium bromide CAS Name: tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]ammonium bromide IUPAC Name: tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium bromide Traditional Name: [3-[4-(1-acetylvinyloxy)phenoxy]-2-hydroxy-propyl]-tert-butyl-ammonium bromide Formula: C17H26BrNO4 MolecularWeight: 388.29664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)OC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Br-]

Isomeric SMILES

CC(=O)C(=C)OC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Br-]

InChI

InChI=1S/C17H25NO4.BrH/c1-12(19)13(2)22-16-8-6-15(7-9-16)21-11-14(20)10-18-17(3,4)5;/h6-9,14,18,20H,2,10-11H2,1,3-5H3;1H