N-(4-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: N-(4-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C27H31N3O2+2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)OC4=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+2/b10-7+