[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-propan-2-yl-azanium chloride

Systemtic Name: [3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-isopropyl-ammonium chloride CAS Name: [2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-propan-2-ylammonium chloride IUPAC Name: [2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-propan-2-ylazanium chloride Traditional Name: [2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-isopropyl-ammonium chloride Formula: C16H28ClNO2 MolecularWeight: 301.85202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH2+]C(C)C)O.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH2+]C(C)C)O.[Cl-]

InChI

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