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

Systemtic Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 5-nitro-2-(4-propyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzonitrile Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-2-5-16-6-8-17(9-7-16)14-4-3-13(18(19)20)10-12(14)11-15/h3-4,10H,2,5-9H2,1H3/p+1