2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)ethanone CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-methyl-3-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)ethanone Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-14-11-16(22(24)25)18-21(14)13-17(23)20-9-7-19(8-10-20)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3/p+1