1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethyl-1-azetidin-1-iumyl)-2-propanol chloride IUPAC Name: 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride Formula: C17H28ClNO2 MolecularWeight: 313.86272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH+]2C(CC2(C)C)(C)C)O.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1OCC(C[NH+]2C(CC2(C)C)(C)C)O.[Cl-]

InChI

InChI=1S/C17H27NO2.ClH/c1-13-8-6-7-9-15(13)20-11-14(19)10-18-16(2,3)12-17(18,4)5;/h6-9,14,19H,10-12H2,1-5H3;1H