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

Systemtic Name: 3-(2-methylpropyl)-5-[6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole Openeye Name: 3-isobutyl-5-[6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole CAS Name: 3-(2-methylpropyl)-5-[6-(4-propyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylpropyl)-5-[6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole Traditional Name: 3-isobutyl-5-[6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole Formula: C18H29N5O+2 MolecularWeight: 331.45576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O/c1-4-7-22-8-10-23(11-9-22)17-6-5-15(13-19-17)18-20-16(21-24-18)12-14(2)3/h5-6,13-14H,4,7-12H2,1-3H3/p+2