2-[4-[2-(2,4-dimethoxyphenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(2,4-dimethoxyphenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-(2,4-dimethoxyphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H26FN3O4/c1-29-19-8-3-16(20(14-19)30-2)13-22(28)26-11-9-25(10-12-26)15-21(27)24-18-6-4-17(23)5-7-18/h3-8,14H,9-13,15H2,1-2H3,(H,24,27)/p+1