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

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C20H21ClN3O3+ MolecularWeight: 386.85204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3/c21-18-9-8-17(15-19(18)24(26)27)20(25)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/p+1/b7-4+