1-(5-methyl-2-propan-2-yl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol chloride

Systemtic Name: 1-(5-methyl-2-propan-2-yl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol chloride Openeye Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol chloride CAS Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-(4-morpholin-4-iumyl)-2-propanol chloride IUPAC Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol chloride Traditional Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol chloride Formula: C17H28ClNO3 MolecularWeight: 329.86212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C17H27NO3.ClH/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18;/h4-5,10,13,15,19H,6-9,11-12H2,1-3H3;1H