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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H25ClN4O3+2 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O3/c22-19-9-8-18(15-20(19)26(28)29)23-21(27)16-25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,23,27)/p+2/b7-4+