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

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C11H17BrN5O3+ MolecularWeight: 347.18838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16BrN5O3/c1-8-10(12)11(17(19)20)13-16(8)7-9(18)15-5-3-14(2)4-6-15/h3-7H2,1-2H3/p+1