4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phthalonitrile CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phthalonitrile Formula: C13H14N5O2+ MolecularWeight: 272.28256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O2/c1-16-2-4-17(5-3-16)12-6-10(8-14)11(9-15)7-13(12)18(19)20/h6-7H,2-5H2,1H3/p+1