(2,4-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (2,4-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (2,4-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (2,4-dinitrophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (2,4-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (2,4-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=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5/c1-13-4-6-14(7-5-13)12(17)10-3-2-9(15(18)19)8-11(10)16(20)21/h2-3,8H,4-7H2,1H3/p+1