dimethyl-[[3-(phenylcarbonyl)phenyl]methyl]-(2-prop-2-enoyloxyethyl)azanium bromide

Systemtic Name: dimethyl-[[3-(phenylcarbonyl)phenyl]methyl]-(2-prop-2-enoyloxyethyl)azanium bromide Openeye Name: (3-benzoylphenyl)methyl-dimethyl-(2-prop-2-enoyloxyethyl)ammonium bromide CAS Name: (3-benzoylphenyl)methyl-dimethyl-[2-(1-oxoprop-2-enoxy)ethyl]ammonium bromide IUPAC Name: (3-benzoylphenyl)methyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium bromide Traditional Name: 2-acryloyloxyethyl-(3-benzoylbenzyl)-dimethyl-ammonium bromide Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC(=O)C=C)CC1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+](C)(CCOC(=O)C=C)CC1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C21H24NO3.BrH/c1-4-20(23)25-14-13-22(2,3)16-17-9-8-12-19(15-17)21(24)18-10-6-5-7-11-18;/h4-12,15H,1,13-14,16H2,2-3H3;1H/q+1;/p-1