2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H23FN3O4+ MolecularWeight: 400.423423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22FN3O4/c22-16-2-1-3-17(13-16)23-20(26)14-24-6-8-25(9-7-24)21(27)15-4-5-18-19(12-15)29-11-10-28-18/h1-5,12-13H,6-11,14H2,(H,23,26)/p+1