3-nitro-4-piperazin-4-ium-1-yl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-piperazin-4-ium-1-yl-benzenecarbonitrile Openeye Name: 3-nitro-4-piperazin-4-ium-1-yl-benzonitrile CAS Name: 3-nitro-4-(1-piperazin-4-iumyl)benzonitrile IUPAC Name: 3-nitro-4-piperazin-4-ium-1-ylbenzonitrile Traditional Name: 3-nitro-4-piperazin-4-ium-1-yl-benzonitrile Formula: C11H13N4O2+ MolecularWeight: 233.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2/c12-8-9-1-2-10(11(7-9)15(16)17)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/p+1