3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[2-[2-(4-amylphenyl)ethynyl]phenyl]-2H-oxadiazol-3-ium-5-one Formula: C21H21N2O2+ MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CC=CC=C2[N+]3=CC(=O)ON3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC=CC=C2[N+]3=CC(=O)ON3

InChI

InChI=1S/C21H20N2O2/c1-2-3-4-7-17-10-12-18(13-11-17)14-15-19-8-5-6-9-20(19)23-16-21(24)25-22-23/h5-6,8-13,16H,2-4,7H2,1H3/p+1