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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzonitrile CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3,5-dinitrobenzonitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitrobenzonitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzonitrile Formula: C12H14N5O4+ MolecularWeight: 292.27066

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4/c1-14-2-4-15(5-3-14)12-10(16(18)19)6-9(8-13)7-11(12)17(20)21/h6-7H,2-5H2,1H3/p+1