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

Systemtic Name: 1-[[5-(3-nitrophenyl)furan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[[5-(3-nitrophenyl)-2-furyl]methyl]piperazine-1,4-diium CAS Name: 1-[[5-(3-nitrophenyl)-2-furanyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[[5-(3-nitrophenyl)furan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-[[5-(3-nitrophenyl)-2-furyl]methyl]piperazine-1,4-diium Formula: C24H27N3O3+2 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O3/c28-27(29)22-10-4-9-21(18-22)24-12-11-23(30-24)19-26-16-14-25(15-17-26)13-5-8-20-6-2-1-3-7-20/h1-12,18H,13-17,19H2/p+2/b8-5+