[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-diethyl-azanium chloride

Systemtic Name: [3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-diethyl-azanium chloride Openeye Name: [3-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-hydroxy-propyl]-diethyl-ammonium chloride CAS Name: [3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxypropyl]-diethylammonium chloride IUPAC Name: [3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxypropyl]-diethylazanium chloride Traditional Name: [3-(2,4-ditert-amylphenoxy)-2-hydroxy-propyl]-diethyl-ammonium chloride Formula: C23H42ClNO2 MolecularWeight: 400.03808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO2.ClH/c1-9-22(5,6)18-13-14-21(20(15-18)23(7,8)10-2)26-17-19(25)16-24(11-3)12-4;/h13-15,19,25H,9-12,16-17H2,1-8H3;1H