N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-veratryl-acetamide Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H26FN3O3/c1-27-19-8-3-16(13-20(19)28-2)14-23-21(26)15-24-9-11-25(12-10-24)18-6-4-17(22)5-7-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1