1-[4-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H24FN2O3+ MolecularWeight: 371.425263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C21H23FN2O3/c1-15(25)16-2-4-20(5-3-16)24-8-6-23(7-9-24)12-17-10-19(22)11-18-13-26-14-27-21(17)18/h2-5,10-11H,6-9,12-14H2,1H3/p+1