(3E)-5,7-ditert-butyl-3-(phenylmethylidene)-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3E)-5,7-ditert-butyl-3-(phenylmethylidene)-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-3-benzylidene-5,7-ditert-butyl-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-5,7-ditert-butyl-3-(phenylmethylene)-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-3-benzylidene-5,7-ditert-butyl-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-3-benzal-5,7-ditert-butyl-2H-1,3-benzoxazol-3-ium Formula: C22H28NO+ MolecularWeight: 322.46382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO/c1-21(2,3)17-12-18(22(4,5)6)20-19(13-17)23(15-24-20)14-16-10-8-7-9-11-16/h7-14H,15H2,1-6H3/q+1/b23-14-