2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzonitrile Formula: C12H15N4O2+ MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2/c1-14-4-6-15(7-5-14)12-3-2-11(16(17)18)8-10(12)9-13/h2-3,8H,4-7H2,1H3/p+1