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

Systemtic Name: 3,5-dimethyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(3-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C15H20N5O3+ MolecularWeight: 318.351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O3/c1-11-13(12(2)23-17-11)10-18-6-8-19(9-7-18)15-14(20(21)22)4-3-5-16-15/h3-5H,6-10H2,1-2H3/p+1