dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]-(1-prop-2-enoyloxyethyl)azanium bromide

Systemtic Name: dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]-(1-prop-2-enoyloxyethyl)azanium bromide Openeye Name: (4-benzoylphenyl)methyl-dimethyl-(1-prop-2-enoyloxyethyl)ammonium bromide CAS Name: (4-benzoylphenyl)methyl-dimethyl-[1-(1-oxoprop-2-enoxy)ethyl]ammonium bromide IUPAC Name: (4-benzoylphenyl)methyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium bromide Traditional Name: 1-acryloyloxyethyl-(4-benzoylbenzyl)-dimethyl-ammonium bromide Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO3.BrH/c1-5-20(23)25-16(2)22(3,4)15-17-11-13-19(14-12-17)21(24)18-9-7-6-8-10-18;/h5-14,16H,1,15H2,2-4H3;1H/q+1;/p-1