2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C16H21N6O3+ MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-12-16(22(24)25)13(2)21(18-12)11-15(23)20-9-7-19(8-10-20)14-5-3-4-6-17-14/h3-6H,7-11H2,1-2H3/p+1