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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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