(3E)-3-[(2,5-dimethylphenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3E)-3-[(2,5-dimethylphenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-3-[(2,5-dimethylphenyl)methylene]-7-isopropyl-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-3-[(2,5-dimethylphenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-3-[(2,5-dimethylphenyl)methylidene]-7-propan-2-yl-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-3-(2,5-dimethylbenzylidene)-7-isopropyl-2H-1,3-benzoxazol-3-ium Formula: C19H22NO+ MolecularWeight: 280.38408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C=[N+]2COC3=C(C=CC=C32)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=[N+]\2/COC3=C(C=CC=C32)C(C)C

InChI

InChI=1S/C19H22NO/c1-13(2)17-6-5-7-18-19(17)21-12-20(18)11-16-10-14(3)8-9-15(16)4/h5-11,13H,12H2,1-4H3/q+1/b20-11-