[3-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-2-oxidanyl-propyl]-trimethyl-azanium chloride

Systemtic Name: [3-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [3-(4-benzoyl-2,6-dimethyl-phenoxy)-2-hydroxy-propyl]-trimethyl-ammonium chloride CAS Name: [3-(4-benzoyl-2,6-dimethylphenoxy)-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-(4-benzoyl-2,6-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [3-(4-benzoyl-2,6-dimethyl-phenoxy)-2-hydroxy-propyl]-trimethyl-ammonium chloride Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28NO3.ClH/c1-15-11-18(20(24)17-9-7-6-8-10-17)12-16(2)21(15)25-14-19(23)13-22(3,4)5;/h6-12,19,23H,13-14H2,1-5H3;1H/q+1;/p-1