N-phenyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-phenyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]-N-phenylbenzamide IUPAC Name: N-phenyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2/c33-27(22-32-20-18-31(19-21-32)17-9-12-23-10-3-1-4-11-23)30-26-16-8-7-15-25(26)28(34)29-24-13-5-2-6-14-24/h1-16H,17-22H2,(H,29,34)(H,30,33)/p+1/b12-9+