1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Formula: C15H22N6O2+2 MolecularWeight: 318.37418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O2/c1-12-15(21(22)23)13(2)20(17-12)11-18-7-9-19(10-8-18)14-3-5-16-6-4-14/h3-6H,7-11H2,1-2H3/p+2