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

Systemtic Name: tert-butyl-[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium chloride Openeye Name: tert-butyl-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium chloride CAS Name: tert-butyl-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]ammonium chloride IUPAC Name: tert-butyl-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium chloride Traditional Name: tert-butyl-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium chloride Formula: C17H30ClNO2 MolecularWeight: 315.8786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2.ClH/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6;/h7-9,12,14,18-19H,10-11H2,1-6H3;1H