2-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-oxadiazole chloride

Systemtic Name: 2-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-oxadiazole chloride Openeye Name: 2-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-oxadiazole chloride CAS Name: 2-phenyl-5-(1-pyridin-1-iumylmethyl)-1,3,4-oxadiazole chloride IUPAC Name: 2-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-oxadiazole chloride Traditional Name: 2-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-oxadiazole chloride Formula: C14H12ClN3O MolecularWeight: 273.71758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)C[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C14H12N3O.ClH/c1-3-7-12(8-4-1)14-16-15-13(18-14)11-17-9-5-2-6-10-17;/h1-10H,11H2;1H/q+1;/p-1