5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 5-methyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 5-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C12H17N6O+ MolecularWeight: 261.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=NC(=NO1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C12H16N6O/c1-10-15-11(16-19-10)9-17-5-7-18(8-6-17)12-13-3-2-4-14-12/h2-4H,5-9H2,1H3/p+1