1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(4,5-dimethoxy-2-nitro-benzyl)piperazin-1-ium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CC[NH+](CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O4/c1-28-21-15-19(20(25(26)27)16-22(21)29-2)17-24-13-11-23(12-14-24)10-6-9-18-7-4-3-5-8-18/h3-9,15-16H,10-14,17H2,1-2H3/p+1/b9-6+