1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-morpholin-4-ium-4-yl-propan-1-one

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-morpholin-4-ium-4-yl-propan-1-one Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CC[NH+]2CCOCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CC[NH+]2CCOCC2

InChI

InChI=1S/C21H33NO3/c1-20(2,3)16-13-15(14-17(19(16)24)21(4,5)6)18(23)7-8-22-9-11-25-12-10-22/h13-14,24H,7-12H2,1-6H3/p+1