2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylphenyl)-1,3,4-oxadiazole perchlorate

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylphenyl)-1,3,4-oxadiazole perchlorate Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylphenyl)-1,3,4-oxadiazole perchlorate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole perchlorate IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylphenyl)-1,3,4-oxadiazole perchlorate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylphenyl)-1,3,4-oxadiazole perchlorate Formula: C20H16ClN3O5 MolecularWeight: 413.81114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H16N3O.ClHO4/c1-23-13-11-18(12-14-23)20-22-21-19(24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15;2-1(3,4)5/h2-14H,1H3;(H,2,3,4,5)/q+1;/p-1