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

Systemtic Name: 3-methyl-5-[[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-methyl-5-[[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-methyl-5-[[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-methyl-5-[[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-methyl-5-[[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C13H17N6O3+ MolecularWeight: 305.31248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O3/c1-10-15-13(22-16-10)9-17-4-6-18(7-5-17)11-2-3-12(14-8-11)19(20)21/h2-3,8H,4-7,9H2,1H3/p+1