2-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]ethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]ethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-(4-benzoyl-2,6-dimethyl-phenoxy)ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-(4-benzoyl-2,6-dimethyl-phenoxy)ethyl-trimethyl-ammonium; methyl sulfate Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[N+](C)(C)C)C)C(=O)C2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC[N+](C)(C)C)C)C(=O)C2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H26NO2.CH4O4S/c1-15-13-18(19(22)17-9-7-6-8-10-17)14-16(2)20(15)23-12-11-21(3,4)5;1-5-6(2,3)4/h6-10,13-14H,11-12H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1