4-nitro-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-nitro-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzene-1,2-dicarbonitrile Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-phthalonitrile CAS Name: 4-nitro-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-phthalonitrile Formula: C19H18N5O2+ MolecularWeight: 348.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O2/c20-12-16-10-18(19(24(25)26)11-17(16)13-21)23-8-6-22(7-9-23)14-15-4-2-1-3-5-15/h1-5,10-11H,6-9,14H2/p+1