2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-fluoranyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-fluoranyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(5-fluoro-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanone Traditional Name: 1-(5-fluoro-1H-indol-3-yl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C22H24FN3O3+2 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CNC5=C4C=C(C=C5)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CNC5=C4C=C(C=C5)F

InChI

InChI=1S/C22H22FN3O3/c23-16-2-3-19-17(10-16)18(11-24-19)20(27)13-26-7-5-25(6-8-26)12-15-1-4-21-22(9-15)29-14-28-21/h1-4,9-11,24H,5-8,12-14H2/p+2