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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H27FN3O4+ MolecularWeight: 404.455183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O4/c1-27-18-12-16(13-19(28-2)21(18)29-3)23-20(26)14-24-8-10-25(11-9-24)17-6-4-15(22)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1