(3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylene]-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-7-tert-butyl-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-7-tert-butyl-5-methyl-3-(3,4,5-trimethoxybenzylidene)-2H-1,3-benzoxazol-3-ium Formula: C22H28NO4+ MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=CC3=CC(=C(C(=C3)OC)OC)OC)CO2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)/[N+](=C\C3=CC(=C(C(=C3)OC)OC)OC)/CO2)C(C)(C)C

InChI

InChI=1S/C22H28NO4/c1-14-8-16(22(2,3)4)20-17(9-14)23(13-27-20)12-15-10-18(24-5)21(26-7)19(11-15)25-6/h8-12H,13H2,1-7H3/q+1/b23-12-