(Z)-(4,4-dimethylpiperazin-4-ium-1-yl)-(2,4-dinitrophenoxy)imino-oxidanidyl-azanium iodide

Systemtic Name: (Z)-(4,4-dimethylpiperazin-4-ium-1-yl)-(2,4-dinitrophenoxy)imino-oxidanidyl-azanium iodide Openeye Name: (Z)-(4,4-dimethylpiperazin-4-ium-1-yl)-(2,4-dinitrophenoxy)imino-oxido-ammonium iodide CAS Name: (Z)-(4,4-dimethyl-1-piperazin-4-iumyl)-(2,4-dinitrophenoxy)imino-oxidoammonium iodide IUPAC Name: (Z)-(4,4-dimethylpiperazin-4-ium-1-yl)-(2,4-dinitrophenoxy)imino-oxidoazanium iodide Traditional Name: (Z)-(4,4-dimethylpiperazin-4-ium-1-yl)-(2,4-dinitrophenyl)oximino-oxido-ammonium iodide Formula: C12H17IN6O6 MolecularWeight: 468.20445

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-])C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-])C.[I-]

InChI

InChI=1S/C12H17N6O6.HI/c1-18(2)7-5-14(6-8-18)17(23)13-24-12-4-3-10(15(19)20)9-11(12)16(21)22;/h3-4,9H,5-8H2,1-2H3;1H/q+1;/p-1/b17-13-;