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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O3/c22-19-9-8-18(26(28)29)15-20(19)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+1/b7-4+