tert-butyl-[2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]azanium chloride

Systemtic Name: tert-butyl-[2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]azanium chloride Openeye Name: tert-butyl-[2-hydroxy-3-(4-isopropylphenoxy)propyl]ammonium chloride CAS Name: tert-butyl-[2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]ammonium chloride IUPAC Name: tert-butyl-[2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]azanium chloride Traditional Name: tert-butyl-[2-hydroxy-3-(4-isopropylphenoxy)propyl]ammonium chloride Formula: C16H28ClNO2 MolecularWeight: 301.85202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Cl-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Cl-]

InChI

InChI=1S/C16H27NO2.ClH/c1-12(2)13-6-8-15(9-7-13)19-11-14(18)10-17-16(3,4)5;/h6-9,12,14,17-18H,10-11H2,1-5H3;1H