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

Systemtic Name: 2-(4-chloranyl-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-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)ethanone CAS Name: 2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)ethanone Formula: C17H21ClN5O3+ MolecularWeight: 378.83334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O3/c1-13-16(18)17(23(25)26)19-22(13)12-15(24)21-9-7-20(8-10-21)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3/p+1