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

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CN(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+1/b7-4+