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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-[(E)-cinnamyl]piperazin-4-ium Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2/c21-20-9-8-19(24(25)26)15-18(20)16-23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/p+1/b7-4+