5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 5-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]-3-(2-methylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(o-tolyl)-1,2,4-oxadiazole Formula: C20H25N5O+2 MolecularWeight: 351.4454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4C

InChI

InChI=1S/C20H23N5O/c1-3-24-10-12-25(13-11-24)18-9-8-16(14-21-18)20-22-19(23-26-20)17-7-5-4-6-15(17)2/h4-9,14H,3,10-13H2,1-2H3/p+2