1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-[(E)-cinnamyl]piperazine-1,4-diium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-[(E)-cinnamyl]piperazine-1,4-diium Formula: C20H24ClN3O2+2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O2/c21-19-9-8-18(15-20(19)24(25)26)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+2/b7-4+