2,4-ditert-butylphenol; 1-methyl-4-oxa-1-azoniabicyclo[3.1.0]hexane

Systemtic Name: 2,4-ditert-butylphenol; 1-methyl-4-oxa-1-azoniabicyclo[3.1.0]hexane Openeye Name: 2,4-ditert-butylphenol; 1-methyl-4-oxa-1-azoniabicyclo[3.1.0]hexane CAS Name: 2,4-ditert-butylphenol; 1-methyl-4-oxa-1-azoniabicyclo[3.1.0]hexane IUPAC Name: 2,4-ditert-butylphenol; 1-methyl-4-oxa-1-azoniabicyclo[3.1.0]hexane Traditional Name: 2,4-ditert-butylphenol; 1-methyl-4-oxa-1-azoniabicyclo[3.1.0]hexane Formula: C19H32NO2+ MolecularWeight: 306.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C[N+]12CCOC1C2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C[N+]12CCOC1C2

InChI

InChI=1S/C14H22O.C5H10NO/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-6-2-3-7-5(6)4-6/h7-9,15H,1-6H3;5H,2-4H2,1H3/q;+1