(3E)-7-tert-butyl-3-[(2,5-dimethylphenyl)methylidene]-5-methyl-1,3-benzoxazol-3-ium-2-one

Systemtic Name: (3E)-7-tert-butyl-3-[(2,5-dimethylphenyl)methylidene]-5-methyl-1,3-benzoxazol-3-ium-2-one Openeye Name: (3E)-7-tert-butyl-3-[(2,5-dimethylphenyl)methylene]-5-methyl-1,3-benzoxazol-3-ium-2-one CAS Name: (3E)-7-tert-butyl-3-[(2,5-dimethylphenyl)methylidene]-5-methyl-1,3-benzoxazol-3-ium-2-one IUPAC Name: (3E)-7-tert-butyl-3-[(2,5-dimethylphenyl)methylidene]-5-methyl-1,3-benzoxazol-3-ium-2-one Traditional Name: (3E)-7-tert-butyl-3-(2,5-dimethylbenzylidene)-5-methyl-1,3-benzoxazol-3-ium-2-one Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C=[N+]2C3=CC(=CC(=C3OC2=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=[N+]/2\C3=CC(=CC(=C3OC2=O)C(C)(C)C)C

InChI

InChI=1S/C21H24NO2/c1-13-7-8-15(3)16(9-13)12-22-18-11-14(2)10-17(21(4,5)6)19(18)24-20(22)23/h7-12H,1-6H3/q+1/b22-12+