N-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3,5-dinitrobenzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitrobenzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzamide Formula: C12H16N5O5+ MolecularWeight: 310.28594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O5/c1-14-2-4-15(5-3-14)13-12(18)9-6-10(16(19)20)8-11(7-9)17(21)22/h6-8H,2-5H2,1H3,(H,13,18)/p+1