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

Systemtic Name: 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole Openeye Name: 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole CAS Name: 2-(4-butoxyphenyl)-5-(1-methyl-4-pyridin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole Traditional Name: 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole Formula: C18H20N3O2+ MolecularWeight: 310.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=[N+](C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=[N+](C=C3)C

InChI

InChI=1S/C18H20N3O2/c1-3-4-13-22-16-7-5-14(6-8-16)17-19-20-18(23-17)15-9-11-21(2)12-10-15/h5-12H,3-4,13H2,1-2H3/q+1