5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2/c21-16-18-15-19(24(25)26)8-9-20(18)23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14H2/p+1/b7-4+