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dimethyl-[3-(3-methyl-2-oxidanyl-2-phenyl-butanoyl)oxypropyl]azanium chloride

dimethyl-[3-(3-methyl-2-oxidanyl-2-phenyl-butanoyl)oxypropyl]azanium chloride

Systemtic Name:dimethyl-[3-(3-methyl-2-oxidanyl-2-phenyl-butanoyl)oxypropyl]azanium chloride
Openeye Name:3-(2-hydroxy-3-methyl-2-phenyl-butanoyl)oxypropyl-dimethyl-ammonium chloride
CAS Name:3-(2-hydroxy-3-methyl-1-oxo-2-phenylbutoxy)propyl-dimethylammonium chloride
IUPAC Name:3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl-dimethylazanium chloride
Traditional Name:3-(2-hydroxy-3-methyl-2-phenyl-butanoyl)oxypropyl-dimethyl-ammonium chloride
Formula: C16H26ClNO3
MolecularWeight: 315.83554
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OCCC[NH+](C)C)O.[Cl-]


Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OCCC[NH+](C)C)O.[Cl-]


InChI

InChI=1S/C16H25NO3.ClH/c1-13(2)16(19,14-9-6-5-7-10-14)15(18)20-12-8-11-17(3)4;/h5-7,9-10,13,19H,8,11-12H2,1-4H3;1H


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