tert-butyl-[3-(4-cyclohexyl-2-ethanoyl-phenoxy)-2-oxidanyl-propyl]azanium chloride

Systemtic Name: tert-butyl-[3-(4-cyclohexyl-2-ethanoyl-phenoxy)-2-oxidanyl-propyl]azanium chloride Openeye Name: [3-(2-acetyl-4-cyclohexyl-phenoxy)-2-hydroxy-propyl]-tert-butyl-ammonium chloride CAS Name: [3-(2-acetyl-4-cyclohexylphenoxy)-2-hydroxypropyl]-tert-butylammonium chloride IUPAC Name: [3-(2-acetyl-4-cyclohexylphenoxy)-2-hydroxypropyl]-tert-butylazanium chloride Traditional Name: [3-(2-acetyl-4-cyclohexyl-phenoxy)-2-hydroxy-propyl]-tert-butyl-ammonium chloride Formula: C21H34ClNO3 MolecularWeight: 383.95256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)C2CCCCC2)OCC(C[NH2+]C(C)(C)C)O.[Cl-]

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C2CCCCC2)OCC(C[NH2+]C(C)(C)C)O.[Cl-]

InChI

InChI=1S/C21H33NO3.ClH/c1-15(23)19-12-17(16-8-6-5-7-9-16)10-11-20(19)25-14-18(24)13-22-21(2,3)4;/h10-12,16,18,22,24H,5-9,13-14H2,1-4H3;1H