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

Systemtic Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole CAS Name: 5-[[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3-(2-pyrazinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Formula: C18H23N7O+2 MolecularWeight: 353.42152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O/c1-13-9-15(10-14(2)21-13)25-7-5-24(6-8-25)12-17-22-18(23-26-17)16-11-19-3-4-20-16/h3-4,9-11H,5-8,12H2,1-2H3/p+2