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

Systemtic Name: 5-methyl-3-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C14H19N5O3+2 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3/c1-11-9-12(16-22-11)10-17-5-7-18(8-6-17)14-13(19(20)21)3-2-4-15-14/h2-4,9H,5-8,10H2,1H3/p+2