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

Systemtic Name: 1-[(5-nitrofuran-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium CAS Name: 1-[(5-nitro-2-furanyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium IUPAC Name: 1-[(5-nitrofuran-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium Formula: C18H22N3O3+ MolecularWeight: 328.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])CC=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])C/C=C/C3=CC=CC=C3

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+1/b7-4+