4-[2-(4-dimethylaminophenyl)ethynyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-3-phenyl-oxadiazol-3-ium-5-olate Formula: C18H15N3O2 MolecularWeight: 305.3306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C#CC2=C(ON=[N+]2C3=CC=CC=C3)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C#CC2=C(ON=[N+]2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H15N3O2/c1-20(2)15-11-8-14(9-12-15)10-13-17-18(22)23-19-21(17)16-6-4-3-5-7-16/h3-9,11-12H,1-2H3