2-butanoyloxyethyl-dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium bromide

Systemtic Name: 2-butanoyloxyethyl-dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium bromide Openeye Name: (4-benzoylphenyl)methyl-(2-butanoyloxyethyl)-dimethyl-ammonium bromide CAS Name: (4-benzoylphenyl)methyl-dimethyl-[2-(1-oxobutoxy)ethyl]ammonium bromide IUPAC Name: (4-benzoylphenyl)methyl-(2-butanoyloxyethyl)-dimethylazanium bromide Traditional Name: (4-benzoylbenzyl)-(2-butyryloxyethyl)-dimethyl-ammonium bromide Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3.BrH/c1-4-8-21(24)26-16-15-23(2,3)17-18-11-13-20(14-12-18)22(25)19-9-6-5-7-10-19;/h5-7,9-14H,4,8,15-17H2,1-3H3;1H/q+1;/p-1