1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Formula: C21H25N3O4+2 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H23N3O4/c25-24(26)19-14-21-20(27-16-28-21)13-18(19)15-23-11-9-22(10-12-23)8-4-7-17-5-2-1-3-6-17/h1-7,13-14H,8-12,15-16H2/p+2/b7-4+