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

Systemtic Name: 1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[[5-(4-nitrophenyl)-2-furyl]methyl]piperazin-4-ium CAS Name: 1-[[5-(4-nitrophenyl)-2-furanyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium IUPAC Name: 1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[[5-(4-nitrophenyl)-2-furyl]methyl]piperazin-4-ium Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c28-27(29)22-10-8-21(9-11-22)24-13-12-23(30-24)19-26-17-15-25(16-18-26)14-4-7-20-5-2-1-3-6-20/h1-13H,14-19H2/p+1/b7-4+