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

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(2-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(2-nitrobenzyl)piperazin-1-ium Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c24-23(25)20-11-5-4-10-19(20)17-22-15-13-21(14-16-22)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2/p+1/b9-6+