5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C19H24N6O+2 MolecularWeight: 352.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=N4

InChI

InChI=1S/C19H22N6O/c1-14-11-16(12-15(2)21-14)25-9-7-24(8-10-25)13-18-22-19(23-26-18)17-5-3-4-6-20-17/h3-6,11-12H,7-10,13H2,1-2H3/p+2