[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-dimethyl-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium bromide

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl]-dimethyl-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium bromide Openeye Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-[2-(4-bromophenyl)-2-oxo-ethyl]-dimethyl-ammonium bromide CAS Name: [2-(4-bromophenyl)-2-oxoethyl]-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethylammonium bromide IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl]-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethylazanium bromide Traditional Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-[2-(4-bromophenyl)-2-keto-ethyl]-dimethyl-ammonium bromide Formula: C22H27Br2NO3 MolecularWeight: 513.26268

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(COC1=CC=CC=C1CC=C)O)CC(=O)C2=CC=C(C=C2)Br.[Br-]

Isomeric SMILES

C[N+](C)(CC(COC1=CC=CC=C1CC=C)O)CC(=O)C2=CC=C(C=C2)Br.[Br-]

InChI

InChI=1S/C22H27BrNO3.BrH/c1-4-7-18-8-5-6-9-22(18)27-16-20(25)14-24(2,3)15-21(26)17-10-12-19(23)13-11-17;/h4-6,8-13,20,25H,1,7,14-16H2,2-3H3;1H/q+1;/p-1