1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]ethanone Openeye Name: 2-(3-benzylimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[3-(phenylmethyl)-1-imidazol-3-iumyl]ethanone IUPAC Name: 2-(3-benzylimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(3-benzylimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C=C[N+](=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C=C[N+](=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O2/c1-25(2,3)21-14-20(15-22(24(21)30)26(4,5)6)23(29)17-28-13-12-27(18-28)16-19-10-8-7-9-11-19/h7-15,18H,16-17H2,1-6H3/p+1