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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(5-fluoranyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(5-fluoro-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanone Traditional Name: 1-(5-fluoro-1H-indol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)ethanone Formula: C22H23FN3O3+ MolecularWeight: 396.434723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=C2C=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=C2C=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

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+1