8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium Openeye Name: 8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium CAS Name: 8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium Traditional Name: 8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium Formula: C16H12NO+ MolecularWeight: 234.27258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12NO/c1-2-13-7-6-8-14-11-17(12-18-16(13)14)15-9-4-3-5-10-15/h1,3-11H,12H2/q+1