N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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