4-[(R)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[(R)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[(R)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[(R)-1,3-benzodioxol-5-yl(4-morpholin-4-iumyl)methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[(R)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-2,6-ditert-butylphenol Traditional Name: 4-[(R)-1,3-benzodioxol-5-yl(morpholin-4-ium-4-yl)methyl]-2,6-ditert-butyl-phenol Formula: C26H36NO4+ MolecularWeight: 426.56834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C26H35NO4/c1-25(2,3)19-13-18(14-20(24(19)28)26(4,5)6)23(27-9-11-29-12-10-27)17-7-8-21-22(15-17)31-16-30-21/h7-8,13-15,23,28H,9-12,16H2,1-6H3/p+1/t23-/m0/s1