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

Systemtic Name: [3-(2-phenylethynyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[3-(2-phenylethynyl)phenyl]methanone CAS Name: [3-(2-phenylethynyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(2-phenylethynyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[3-(2-phenylethynyl)phenyl]methanone Formula: C28H27N2O+ MolecularWeight: 407.52678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O/c31-28(27-15-7-13-26(23-27)17-16-25-11-5-2-6-12-25)30-21-19-29(20-22-30)18-8-14-24-9-3-1-4-10-24/h1-15,23H,18-22H2/p+1/b14-8+