methyl-[2-(5-methyl-4-oxidanyl-2-propan-2-yl-phenoxy)ethyl]azanium chloride

Systemtic Name: methyl-[2-(5-methyl-4-oxidanyl-2-propan-2-yl-phenoxy)ethyl]azanium chloride Openeye Name: 2-(4-hydroxy-2-isopropyl-5-methyl-phenoxy)ethyl-methyl-ammonium chloride CAS Name: 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-methylammonium chloride IUPAC Name: 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-methylazanium chloride Traditional Name: 2-(4-hydroxy-2-isopropyl-5-methyl-phenoxy)ethyl-methyl-ammonium chloride Formula: C13H22ClNO2 MolecularWeight: 259.77228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1O)C(C)C)OCC[NH2+]C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1O)C(C)C)OCC[NH2+]C.[Cl-]

InChI

InChI=1S/C13H21NO2.ClH/c1-9(2)11-8-12(15)10(3)7-13(11)16-6-5-14-4;/h7-9,14-15H,5-6H2,1-4H3;1H