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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: N-(3-fluorophenyl)-2-(4-veratroylpiperazin-1-ium-1-yl)acetamide Formula: C21H25FN3O4+ MolecularWeight: 402.439303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4/c1-28-18-7-6-15(12-19(18)29-2)21(27)25-10-8-24(9-11-25)14-20(26)23-17-5-3-4-16(22)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)/p+1