N-(2,5-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)acetamide Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-28-20-10-11-22(29-2)21(17-20)24-23(27)18-26-15-13-25(14-16-26)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16,18H2,1-2H3,(H,24,27)/p+2/b9-6+