N-(4-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN3O+ MolecularWeight: 370.8957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O/c22-19-8-10-20(11-9-19)23-21(26)17-25-15-13-24(14-16-25)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H,23,26)/p+1/b7-4+