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

Systemtic Name: 4-nitro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenolate Openeye Name: 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 4-nitro-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenolate IUPAC Name: 4-nitro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenolate Traditional Name: 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-nitro-phenolate Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=C(C=CC(=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=C(C=CC(=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c24-19-8-9-20(23(25)26)18(15-19)16-22-13-11-21(12-14-22)10-4-7-17-5-2-1-3-6-17/h1-9,15,24H,10-14,16H2/b7-4+