(3,5-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3,5-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (3,5-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (3,5-dinitrophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3,5-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (3,5-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H15N4O5+ MolecularWeight: 295.2713

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c1-13-2-4-14(5-3-13)12(17)9-6-10(15(18)19)8-11(7-9)16(20)21/h6-8H,2-5H2,1H3/p+1