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

Systemtic Name: 3,5-dimethyl-4-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C14H21N6O3+ MolecularWeight: 321.35494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O3/c1-10-12(11(2)23-16-10)8-18-4-6-19(7-5-18)14-13(20(21)22)15-9-17(14)3/h9H,4-8H2,1-3H3/p+1