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

Systemtic Name: N-(4-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: N-(4-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c31-27(28-24-13-15-26(16-14-24)32-25-11-5-2-6-12-25)22-30-20-18-29(19-21-30)17-7-10-23-8-3-1-4-9-23/h1-16H,17-22H2,(H,28,31)/p+1/b10-7+