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

Systemtic Name: N-[2-(phenylmethyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(phenylmethyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O/c32-28(29-27-16-8-7-15-26(27)22-25-12-5-2-6-13-25)23-31-20-18-30(19-21-31)17-9-14-24-10-3-1-4-11-24/h1-16H,17-23H2,(H,29,32)/p+1/b14-9+