1-[(5-nitrofuran-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-[(5-nitrofuran-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[(5-nitro-2-furyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-nitro-2-furanyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(5-nitrofuran-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-[(5-nitro-2-furyl)methyl]piperazine-1,4-diium Formula: C18H23N3O3+2 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c22-21(23)18-9-8-17(24-18)15-20-13-11-19(12-14-20)10-4-7-16-5-2-1-3-6-16/h1-9H,10-15H2/p+2/b7-4+