2-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C11H18N5O3+ MolecularWeight: 268.29232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C11H17N5O3/c1-9-7-10(16(18)19)12-15(9)8-11(17)14-5-3-13(2)4-6-14/h7H,3-6,8H2,1-2H3/p+1